# cl_id

name: Dioctadecyl phenyl phosphite
cas: 68123-02-4
dtxsid: DTXSID6071112
formula: C42H79O3P
inchikey: GWJARLHIIQGVLR-UHFFFAOYSA-N
norman_susdat_id: NS00060316
pubchem_cid: 106631
smiles: O(C=1C=CC=CC1)P(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H79O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43-46(45-42-38-34-33-35-39-42)44-41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3


name: N,N,N,N',N'-pentamethyl-N'-[3-(octyloxy)propyl]-N,N'-trimethylenediammonium dichloride
cas: 68123-04-6
dtxsid: DTXSID90889785
formula: C19H44N2O
inchikey: YIELTJJHCUBKPV-UHFFFAOYSA-L
norman_susdat_id: NS00060357
pubchem_cid: 106633
smiles: [Cl-].[Cl-].O(CCCCCCCC)CCC[N+](C)(C)CCC[N+](C)(C)C
inchi:
InChI=1/C19H44N2O.2ClH/c1-7-8-9-10-11-12-18-22-19-14-17-21(5,6)16-13-15-20(2,3)4;;/h7-19H2,1-6H3;2*1H/q+2;;/p-2


name: Trimethyl[3-(tridecyloxy)propyl]ammonium chloride
cas: 68123-07-9
dtxsid: DTXSID00886341
formula: C19H42NO
inchikey: XYEYOAYIWLFMHH-UHFFFAOYSA-M
norman_susdat_id: NS00059736
pubchem_cid: 106637
smiles: [Cl-].O(CCCCCCCCCCCCC)CCC[N+](C)(C)C
inchi:
InChI=1/C19H42NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1


name: 1,4-Benzenediamine, N,N'-bis(1-methylheptylidene)-
cas: 68123-09-1
chemspiderid: 95980
dtxsid: DTXSID6071116
formula: C22H36N2
inchikey: JWJHHWVHDVQCJL-UHFFFAOYSA-N
norman_susdat_id: NS00036416
pubchem_cid: 106641
smiles: CCCCCCC(=Nc1ccc(cc1)N=C(C)CCCCCC)C
inchi:
InChI=1S/C22H36N2/c1-5-7-9-11-13-19(3)23-21-15-17-22(18-16-21)24-20(4)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3/b23-19+,24-20+


name: [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium benzoate
cas: 68123-12-6
formula: C27H33N2.C7H5O2
inchikey: RHJLUWADVWYAOP-UHFFFAOYSA-M
norman_susdat_id: NS00089988
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4
inchi:
InChI=1/C27H33N2.C7H6O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;8-7(9)6-4-2-1-3-5-6/h9-21H,5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1


name: BASIC BLUE 99
cas: 68123-13-7
chemspiderid: 4588421
formula: C19H20Br1N4O2
inchikey: KYLAXXINCKZIBT-UHFFFAOYSA-O
norman_susdat_id: NS00013379
pubchem_cid: 5484231
smiles: [Cl-].C[N+](C)(C)c1cccc(NC2=CC(=C3C(=O)C(=CC(=C3C2=O)N)Br)N)c1
inchi:
InChI=1S/C19H19BrN4O2.ClH/c1-24(2,3)11-6-4-5-10(7-11)23-15-9-14(22)16-17(19(15)26)13(21)8-12(20)18(16)25;/h4-9H,1-3H3,(H4-,21,22,23,25,26);1H


cas: 68123-25-1
formula: C22H39NO4
norman_susdat_id: NS00101263
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-.omega.-(4-nonylphenoxy)-


cas: 68123-27-3
formula: C27H56N2O3
norman_susdat_id: NS00101797
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2'-[[3-[(2-hydroxyethyl)-(9Z)-9-octadecenylamino]propyl]imino]bis[ethanol] (3:1)


name: 1H-Benzimidazole-1-propanamine, 5-chloro-N,N-diethyl-2-methyl-
cas: 68123-36-4
chemspiderid: 73220
dtxsid: DTXSID5071123
formula: C15H22Cl1N3
inchikey: DUBFJCBUAYLDNZ-UHFFFAOYSA-N
norman_susdat_id: NS00036421
pubchem_cid: 106653
smiles: CCN(CC)CCCn1c(C)nc2c1ccc(Cl)c2
inchi:
InChI=1S/C15H22ClN3/c1-4-18(5-2)9-6-10-19-12(3)17-14-11-13(16)7-8-15(14)19/h7-8,11H,4-6,9-10H2,1-3H3


name: 1-allyl-1,1-dimethyl-2-stearoylhydrazinium chloride
cas: 68123-40-0
dtxsid: DTXSID70987596
formula: C23H47N2O
inchikey: MARWWCQBTYFPIO-UHFFFAOYSA-N
norman_susdat_id: NS00060416
pubchem_cid: 109491
smiles: [Cl-].O=C(N[N+](C)(C)CC=C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H46N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-25(3,4)22-6-2;/h6H,2,5,7-22H2,1,3-4H3;1H


name: 3-(2-carboxyethyl)-2-[2-(phenylamino)vinyl]benzoxazolium bromide
cas: 68123-41-1
dtxsid: DTXSID30887164
formula: C18H17N2O3
inchikey: AAALAKZAIRHZIX-UHFFFAOYSA-N
norman_susdat_id: NS00061483
pubchem_cid: NA
smiles: [Br-].O=C(O)CC[N+]1=C(OC=2C=CC=CC21)C=CNC=3C=CC=CC3
inchi:
InChI=1/C18H16N2O3.BrH/c21-18(22)11-13-20-15-8-4-5-9-16(15)23-17(20)10-12-19-14-6-2-1-3-7-14;/h1-10,12H,11,13H2,(H,21,22);1H


name: Magnesium 4,4'-carbonylbisphthalate (2:1)
cas: 68123-44-4
formula: C17H10O9.2Mg
inchikey: AJVIUBKJKHABMN-UHFFFAOYSA-J
norman_susdat_id: NS00089996
smiles: [MgH2].[MgH2].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.2Mg.4H/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;;;/q;2*+2;;;;/p-4/rC17H10O9.2H2Mg/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);2*1H2/q;2*+2/p-4


name: Copper 4,4'-carbonylbisphthalate (2:1)
cas: 68123-45-5
formula: C17H10O9.2Cu
inchikey: VAJBYHXALLDCQI-UHFFFAOYSA-J
norman_susdat_id: NS00089997
smiles: [Cu+2].[Cu+2].O=C([O-])C=1/C=C(\C=C/C=1C([O-])=O)C(=O)c2ccc(C([O-])=O)c(c2)C([O-])=O
inchi:
InChI=1/C17H10O9.2Cu/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;/q;2*+2/p-4


name: Tetrarubidium 4,4'-carbonylbisphthalate
cas: 68123-47-7
formula: C17H10O9.4Rb
inchikey: YWMANRKNBJDNCY-UHFFFAOYSA-J
norman_susdat_id: NS00089998
smiles: [Rb+].[Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.4Rb/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4


name: Tetrasodium 4,4'-carbonylbisphthalate
cas: 68123-48-8
formula: C17H10O9.4Na
inchikey: IWTKLQMUXFOIAG-UHFFFAOYSA-J
norman_susdat_id: NS00090699
smiles: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.4Na/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4


cas: 68123-49-9
dtxsid: DTXSID50887166
formula: C28H31Cl3O6
inchikey: SNPZTKHTBSJNJI-UHFFFAOYSA-N
norman_susdat_id: NS00059786
pubchem_cid: 109139
smiles: ClCC(O)COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)CCl)C=C2)C=3C=CC=CC3OCC(O)CCl
name:
1,1'-[[[2-(3-chloro-2-hydroxypropoxy)phenyl]methylene]bis(4,1-phenyleneoxy)]bis[3-chloropropan-2-ol]

inchi:
InChI=1/C28H31Cl3O6/c29-13-21(32)16-35-24-9-5-19(6-10-24)28(20-7-11-25(12-8-20)36-17-22(33)14-30)26-3-1-2-4-27(26)37-18-23(34)15-31/h1-12,21-23,28,32-34H,13-18H2


name: Pennogenin tetraglycoside
cas: 68124-04-9
chemspiderid: 176233
formula: C51H82O21
inchikey: FBFJAXUYHGSVFN-IYUYFXHASA-N
norman_susdat_id: NS00094586
pubchem_cid: 153511
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)O)C)OC1


name: Potassium hydrogen 5(or 6)-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
cas: 68127-33-3
formula: C21H36O4.xK
inchikey: NQEIIANRMIDQRR-UHFFFAOYSA-M
norman_susdat_id: NS00090285
smiles: [K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O
inchi:
InChI=1/C21H36O4.K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1


cas: 68127-59-3
formula: C9H10ClF3O2
norman_susdat_id: NS00107519
name:
reaction mass of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid and (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid


name: Vetiverol
cas: 68129-81-7
chemspiderid: 2342284
formula: C15H24O1
inchikey: XCEXBRKEGXBUJE-ATFAPYMMSA-N
norman_susdat_id: NS00019838
pubchem_cid: 3085365
smiles: C[C@@H]1CC(O)C=C(C)[C@]21CCC(=C(C)C)C2
inchi:
InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14+,15+/m1/s1


cas: 68130-11-0
formula: C9H19O9P
norman_susdat_id: NS00101702
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 4-hydroxy-2H-pyran-3,3,5,5(4H,6H)-tetramethanol (5:1), phosphate


name: Sulfuric acid, mono-C8-18-alkyl esters, sodium salts
cas: 68130-43-8
formula: -
inchikey: HQCFDOOSGDZRII-UHFFFAOYSA-M
norman_susdat_id: NS00090255
smiles: [Na+].CCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1


name: Sodium 2-[2-[2-[bis(2-methylpropyl)phenoxy]ethoxy]ethoxy]ethanesulphonate
cas: 68132-81-0
dtxsid: DTXSID90987614
formula: C20H34O6S
inchikey: OVARYIQRZRIDQY-UHFFFAOYSA-M
norman_susdat_id: NS00062972
pubchem_cid: 176245
smiles: [Na+].O=S(=O)([O-])CCOCCOCCOC1=CC=CC(=C1CC(C)C)CC(C)C
inchi:
InChI=1/C20H34O6S.Na/c1-16(2)14-18-6-5-7-20(19(18)15-17(3)4)26-11-10-24-8-9-25-12-13-27(21,22)23;/h5-7,16-17H,8-15H2,1-4H3,(H,21,22,23);/q;+1/p-1


name: 1H-Benz[f]indene-1,3(2H)-dione, 5,8-dibromo-2-(3-hydroxy-2-quinolinyl)-
cas: 68133-02-8
chemspiderid: 97072
dtxsid: DTXSID5071127
formula: C22H11Br2N1O3
inchikey: FPBQUHACHGFYSM-UHFFFAOYSA-N
norman_susdat_id: NS00036423
pubchem_cid: 109513
smiles: Oc1c(nc2ccccc2c1)C1C(=O)c2cc3c(Br)ccc(Br)c3cc2C1=O
inchi:
InChI=1S/C22H11Br2NO3/c23-15-5-6-16(24)12-9-14-13(8-11(12)15)21(27)19(22(14)28)20-18(26)7-10-3-1-2-4-17(10)25-20/h1-9,19,26H


name: Sodium 5-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate
cas: 68133-05-1
dtxsid: DTXSID0071128
formula: C20H14N2O4S
inchikey: ZQZDZGKEAGXSSW-UHFFFAOYSA-M
norman_susdat_id: NS00062974
pubchem_cid: 109515
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=C(O)C=CC=4C=CC=CC43)=CC=CC2C1
inchi:
InChI=1/C20H14N2O4S.Na/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18;/h1-12,23H,(H,24,25,26);/q;+1/p-1


name: Isooctadecanamide, N-[2-[(2-aminoethyl)amino]ethyl]-
cas: 68133-06-2
chemspiderid: 98461
dtxsid: DTXSID5071129
formula: C22H47N3O1
inchikey: RKMFMBSBWOHLPQ-UHFFFAOYSA-N
norman_susdat_id: NS00036424
pubchem_cid: 109516
smiles: CC(C)CCCCCCCCCCCCCCC(=O)NCCNCCN
inchi:
InChI=1S/C22H47N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)25-20-19-24-18-17-23/h21,24H,3-20,23H2,1-2H3,(H,25,26)


cas: 68133-23-3
dtxsid: DTXSID00889938
formula: C48H34Cl4N14O26P2S6
inchikey: NIGKPLBLVJRRBB-UHFFFAOYSA-H
norman_susdat_id: NS00066770
pubchem_cid: NA
name:
Hexasodium 6,3-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C48H34Cl4N14O26P2S6.6Na/c49-35-36-30(91-38-22(57-36)7-8-24(40(38)99(85,86)87)56-25-14-32(96(76,77)78)26(15-31(25)95(73,74)75)58-46-62-42(50)60-44(64-46)53-18-3-1-5-20(11-18)93(67,68)69)13-29-37(35)92-39-23(55-29)9-10-48(52,41(39)100(88,89)90)66-28-17-33(97(79,80)81)27(16-34(28)98(82,83)84)59-47-63-43(51)61-45(65-47)54-19-4-2-6-21(12-19)94(70,71)72;;;;;;/h1-17,56-57,66H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,58,60,62,64)(H2,54,59,61,63,65);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=P(O)(O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC=3C=C(C(=CC3S(=O)(=O)[O-])NC4=CC=C5NC=6C(Cl)=C7OC=8C(=NC7=CC6OC5=C4S(=O)(=O)[O-])C=CC(Cl)(NC9=CC(=C(C=C9S(=O)(=O)[O-])NC=%10N=C(Cl)N=C(N%10)NC%11=CC=CC(=C%11)P(=O)(O)O)S(=O)(=O)[O-])C8S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 68133-24-4
formula: C40H29Cl2N15O19S6.6Na
inchikey: YRPZCUJHDXAQRR-UHFFFAOYSA-H
norman_susdat_id: NS00091298
name:
Hexasodium 4-amino-3,6-bis[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8cc(N=Nc7c(cc6cc(c(N=Nc5cc(Nc4nc(Nc3cccc(c3)S([O-])(=O)=O)nc(Cl)n4)ccc5S([O-])(=O)=O)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc8)S([O-])(=O)=O


name: .beta.-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
cas: 68133-25-5
chemspiderid: 98464
dtxsid: DTXSID9071131
formula: C13H18N2O6
inchikey: DYSWWFSUVZDAHO-UHFFFAOYSA-N
norman_susdat_id: NS00036425
pubchem_cid: 109521
smiles: COCCOC(=O)CCNc1cc(ccc1OC)[N+](=O)[O-]
inchi:
InChI=1S/C13H18N2O6/c1-19-7-8-21-13(16)5-6-14-11-9-10(15(17)18)3-4-12(11)20-2/h3-4,9,14H,5-8H2,1-2H3


name: 4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]-6-(methylamino)naphthalene-2-sulphonic acid
cas: 68133-27-7
dtxsid: DTXSID4071132
formula: C18H17N3O8S2
inchikey: XHHWJFFOFMYBHG-UHFFFAOYSA-N
norman_susdat_id: NS00064208
pubchem_cid: 109523
smiles: O=S(=O)(O)C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=C(C=CC3=CC2S(=O)(=O)O)NC
inchi:
InChI=1/C18H17N3O8S2/c1-19-11-4-3-10-7-16(31(26,27)28)17(18(22)13(10)8-11)21-20-14-6-5-12(29-2)9-15(14)30(23,24)25/h3-9,19,22H,1-2H3,(H,23,24,25)(H,26,27,28)


cas: 68133-28-8
dtxsid: DTXSID9071133
formula: C19H18N3O8PS
inchikey: AIYGOWFIMPNYJA-UHFFFAOYSA-L
norman_susdat_id: NS00062975
pubchem_cid: 135853557
smiles: [H+].[Na+].O=C(N(C=1C=CC2=CC(=C(N=NC3=CC=CC(=C3)P(=O)([O-])[O-])C(O)=C2C1)S(=O)(=O)[O-])C)C
name:
Sodium hydrogen 6-(acetylmethylamino)-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C19H18N3O8PS.Na.H2/c1-11(23)22(2)14-7-6-12-8-17(32(28,29)30)18(19(24)16(12)10-14)21-20-13-4-3-5-15(9-13)31(25,26)27;;/h3-10,24H,1-2H3,(H2,25,26,27)(H,28,29,30);;1H/q;2*+1/p-3


cas: 68133-29-9
formula: C16H13N4O9PS.Na
inchikey: XQCKBVYUAFMPIN-UHFFFAOYSA-M
norman_susdat_id: NS00092025
smiles: [H+].[H+].[H+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O
name:
Sodium trihydrogen 4,5-dihydro-5-oxo-4-[(3-phosphonatophenyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C16H13N4O9PS.Na.3H2/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;;;;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);;3*1H/q;4*+1/p-4


cas: 68133-32-4
dtxsid: DTXSID9071135
formula: C20H28N6O8S2
inchikey: RVHGYYPBLMGUJY-UHFFFAOYSA-L
norman_susdat_id: NS00064227
pubchem_cid: 21118526
smiles: [Na+].[Na+].O=S(=O)([O-])CCN(N=NC=1C=CC(=C(OC)C1)C2=CC=C(N=NN(C)CCS(=O)(=O)[O-])C=C2OC)C
name:
Disodium 2,2'-[(2,2'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bisethanesulphonate

inchi:
InChI=1/C20H28N6O8S2.2Na/c1-25(9-11-35(27,28)29)23-21-15-5-7-17(19(13-15)33-3)18-8-6-16(14-20(18)34-4)22-24-26(2)10-12-36(30,31)32;;/h5-8,13-14H,9-12H2,1-4H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 68133-33-5
dtxsid: DTXSID4071136
formula: C18H22Cl2N6O6S2
inchikey: PTZTVJFXDXTSSG-UHFFFAOYSA-L
norman_susdat_id: NS00063216
pubchem_cid: 21118528
smiles: [Na+].[Na+].O=S(=O)([O-])CCN(N=NC=1C=CC(=CC1Cl)C2=CC=C(N=NN(C)CCS(=O)(=O)[O-])C(Cl)=C2)C
name:
Disodium 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bisethanesulphonate

inchi:
InChI=1/C18H22Cl2N6O6S2.2Na/c1-25(7-9-33(27,28)29)23-21-17-5-3-13(11-15(17)19)14-4-6-18(16(20)12-14)22-24-26(2)8-10-34(30,31)32;;/h3-6,11-12H,7-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: N-[2-(diethylamino)ethyl]stearamide phosphate
cas: 68133-34-6
formula: C24H50N2O.H3O4P
inchikey: YHGUXFPXYIRPRJ-UHFFFAOYSA-N
norman_susdat_id: NS00092040
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC.OP(=O)(O)O
inchi:
InChI=1/C24H50N2O.H3O4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3;1-5(2,3)4/h4-23H2,1-3H3,(H,25,27);(H3,1,2,3,4)


name: 2-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]benzoic acid
cas: 68133-35-7
dtxsid: DTXSID9071137
formula: C17H13N3O6S
inchikey: RTTVSZDELFXAPX-UHFFFAOYSA-N
norman_susdat_id: NS00064228
pubchem_cid: 109535
smiles: O=C(O)C=1C=CC=CC1N=NC=2C(O)=C3C=CC(N)=CC3=CC2S(=O)(=O)O
inchi:
InChI=1/C17H13N3O6S/c18-10-5-6-11-9(7-10)8-14(27(24,25)26)15(16(11)21)20-19-13-4-2-1-3-12(13)17(22)23/h1-8,21H,18H2,(H,22,23)(H,24,25,26)


name: (4-ethyl-2-heptadecyl-4,5-dihydrooxazol-4-yl)methyl stearate
cas: 68133-36-8
dtxsid: DTXSID20887173
formula: C41H79NO3
inchikey: RABTYWWXOMZNAP-UHFFFAOYSA-N
norman_susdat_id: NS00063217
pubchem_cid: 109148
smiles: O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H79NO3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-42-41(6-3,37-44-39)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-38H2,1-3H3


name: Octanamide, N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-
cas: 68133-38-0
chemspiderid: 98475
dtxsid: DTXSID4071138
formula: C16H37N5O1
inchikey: JAWMAOQAPSZIIX-UHFFFAOYSA-N
norman_susdat_id: NS00022673
pubchem_cid: 109536
smiles: CCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1S/C16H37N5O/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17/h18-20H,2-15,17H2,1H3,(H,21,22)


name: 4-[(4-chloro-2-methylphenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
cas: 68133-41-5
dtxsid: DTXSID9071139
formula: C25H20ClN3O2
inchikey: XCVUQESRBODIHT-UHFFFAOYSA-N
norman_susdat_id: NS00064229
pubchem_cid: 109537
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-21(15)27-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)29-28-22-12-11-18(26)13-16(22)2/h3-14,30H,1-2H3,(H,27,31)


cas: 68133-42-6
dtxsid: DTXSID8071140
formula: C31H22Cl2N4O4
inchikey: SIEHQRUVSSLCHZ-UHFFFAOYSA-N
norman_susdat_id: NS00064230
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC(Cl)=CC=C5Cl)=C2
name:
N-(2,5-dichlorophenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C31H22Cl2N4O4/c1-41-27-14-11-19(30(39)34-21-8-3-2-4-9-21)16-26(27)36-37-28-22-10-6-5-7-18(22)15-23(29(28)38)31(40)35-25-17-20(32)12-13-24(25)33/h2-17,38H,1H3,(H,34,39)(H,35,40)


name: Stearic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 68133-58-4
formula: C18H36O2.C4H11NO
inchikey: UEJPMIPIBSXRNL-UHFFFAOYSA-N
norman_susdat_id: NS00092051
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C18H36O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h2-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3


cas: 68133-61-9
chemspiderid: 4942026
dtxsid: DTXSID3071145
formula: C18H18N2O4S2
inchikey: RFQLJIPQTMAKQX-UHFFFAOYSA-N
norman_susdat_id: NS00036430
pubchem_cid: 109543
smiles: CCn1/c(=C/C=C/2SC(=S)N(CC(=O)O)C2=O)/oc2c1cc(C)c(C)c2
name:
3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-

inchi:
InChI=1S/C18H18N2O4S2/c1-4-19-12-7-10(2)11(3)8-13(12)24-15(19)6-5-14-17(23)20(9-16(21)22)18(25)26-14/h5-8H,4,9H2,1-3H3,(H,21,22)/b14-5-,15-6-


name: Oleic acid, compound with 2-(ethylamino)ethanol (1:1)
cas: 68133-62-0
formula: C18H34O2.C4H11NO
inchikey: JLQGOJSHLBHSPK-KVVVOXFISA-N
norman_susdat_id: NS00091554
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCNCCO
inchi:
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-5-3-4-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,2-4H2,1H3


name: Sodium 1-(2-ethylhexyl) 4-hexyl 2-sulphonatosuccinate
cas: 68133-68-6
dtxsid: DTXSID80987623
formula: C18H34O7S
inchikey: VNKNAOUQMIGCIQ-UHFFFAOYSA-M
norman_susdat_id: NS00063219
pubchem_cid: 109545
smiles: [Na+].O=C(OCCCCCC)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H34O7S.Na/c1-4-7-9-10-12-24-17(19)13-16(26(21,22)23)18(20)25-14-15(6-3)11-8-5-2;/h15-16H,4-14H2,1-3H3,(H,21,22,23);/q;+1/p-1


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
cas: 68133-69-7
chemspiderid: 98482
dtxsid: DTXSID8071146
formula: C20H18N6O4S1
inchikey: ZNUBBVSUTSNSIM-UHFFFAOYSA-N
norman_susdat_id: NS00020446
pubchem_cid: 109546
smiles: CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
inchi:
InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3/b24-23+


name: 9,10-Anthracenedione, 1,5-dihydroxy-4-[(2-hydroxyethyl)amino]-8-(phenylamino)-
cas: 68133-70-0
chemspiderid: 98483
dtxsid: DTXSID3071147
formula: C22H18N2O5
inchikey: NGNAFXRFKWRTKB-UHFFFAOYSA-N
norman_susdat_id: NS00036431
pubchem_cid: 109547
smiles: OCCNc1ccc(O)c2c1C(=O)c1c(O)ccc(Nc3ccccc3)c1C2=O
inchi:
InChI=1S/C22H18N2O5/c25-11-10-23-13-6-8-15(26)19-17(13)21(28)20-16(27)9-7-14(18(20)22(19)29)24-12-4-2-1-3-5-12/h1-9,23-27H,10-11H2


name: 2-Propenoic acid, 3-phenyl-, (3Z)-3-hexen-1-yl ester
cas: 68133-75-5
chemspiderid: 4675722
dtxsid: DTXSID60887177
formula: C15H18O2
inchikey: FKWGVMQNGUQXDN-NEVCXRMESA-N
norman_susdat_id: NS00012574
pubchem_cid: 5744267
smiles: CC/C=C/CCOC(=O)/C=C/c1ccccc1
inchi:
InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3+,12-11+


name: Diammonium pentachlororuthenate
cas: 68133-88-0
formula: Cl5Ru.2H4N
inchikey: LUFHMOWSTJSWDO-UHFFFAOYSA-F
norman_susdat_id: NS00092055
smiles: [NH4+].[NH4+].Cl[Ru-](Cl)(Cl)(Cl)Cl.Cl[Ru-](Cl)(Cl)(Cl)Cl
inchi:
InChI=1/10ClH.2H3N.2Ru/h10*1H;2*1H3;;/q;;;;;;;;;;;;2*+6/p-8/r2Cl5Ru.2H3N/c2*1-6(2,3,4)5;;/h;;2*1H3/q2*+1;;/p+2


name: Dihydrogen hexahydroxyplatinate, compound with 2-aminoethanol (1:2)
cas: 68133-90-4
formula: C2H7NO.1/2H6O6Pt.H
inchikey: MUXAIIZNFGJLPA-UHFFFAOYSA-H
norman_susdat_id: NS00091309
smiles: NCCO.NCCO.O[Pt-2](O)(O)(O)(O)O
inchi:
InChI=1/2C2H7NO.6H2O.Pt/c2*3-1-2-4;;;;;;;/h2*4H,1-3H2;6*1H2;/q;;;;;;;;+4/p-6/r2C2H7NO.H6O6Pt/c2*3-1-2-4;1-7(2,3,4,5)6/h2*4H,1-3H2;1-6H/q;;-2


cas: 68133-97-1
dtxsid: DTXSID50987630
formula: C23H21N2O6
inchikey: PYZUAOHBBJNJQX-UHFFFAOYSA-N
norman_susdat_id: NS00062997
pubchem_cid: NA
smiles: [H+].O=C([O-])CCN1C(OC=2C=CC=CC21)=CC=CC=3OC=4C=CC=CC4[N+]3CCC(=O)[O-]
name:
Hydrogen 3-(2-carboxylatoethyl)-2-[3-[3-(2-carboxylatoethyl)-3H-benzoxazol-2-ylidene]prop-1-enyl]benzoxazolium

inchi:
InChI=1/C23H20N2O6.H2/c26-22(27)12-14-24-16-6-1-3-8-18(16)30-20(24)10-5-11-21-25(15-13-23(28)29)17-7-2-4-9-19(17)31-21;/h1-11H,12-15H2,(H-,26,27,28,29);1H/q;+1/p-1


name: Citric acid, ammonium zinc salt
cas: 68134-01-0
formula: C6H8O7.xH3N.xZn
inchikey: HKCOOGQWXRQBHJ-UHFFFAOYSA-L
norman_susdat_id: NS00091569
smiles: [NH4+].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.H3N.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;/q;;+2/p-2


name: 9-Octadecenoic acid (9Z)-, 2-ethoxyethyl ester
cas: 68134-05-4
chemspiderid: 4942033
dtxsid: DTXSID2071152
formula: C22H42O3
inchikey: VUPZFTKJJOGXIU-UHFFFAOYSA-N
norman_susdat_id: NS00022674
pubchem_cid: 109568
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCOCC
inchi:
InChI=1S/C22H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h11-12H,3-10,13-21H2,1-2H3/b12-11-


cas: 68134-08-7
formula: C38H40N12O8S2
inchikey: DKFWHEWGAAGQSK-BUHFOSPRSA-N
norman_susdat_id: NS00091442
name:
4,4'-bis[[6-anilino-4-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid

inchi:
InChI=1/C38H40N12O8S2/c1-23(51)21-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(19-29)59(53,54)55)13-14-26-16-18-30(20-32(26)60(56,57)58)44-38-48-34(40-22-24(2)52)46-36(50-38)42-28-11-7-4-8-12-28/h3-20,23-24,51-52H,21-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50)

smiles:
CC(O)CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCC(C)O)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1


name: N,N',N'',N'''-[carbonylbis(nitrilodiethylene)]tetrastearamide diacetate
cas: 68134-12-3
formula: C81H160N6O5
inchikey: FKNWTGBZBBKQNQ-UHFFFAOYSA-N
norman_susdat_id: NS00064274
pubchem_cid: 109573
inchi:
InChI=1/C81H160N6O5.2C2H4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77(88)82-69-73-86(74-70-83-78(89)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)81(92)87(75-71-84-79(90)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-85-80(91)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;2*1-2(3)4/h5-76H2,1-4H3,(H,82,88)(H,83,89)(H,84,90)(H,85,91);2*1H3,(H,3,4)

smiles:
O=C(O)C.O=C(O)C.O=C(NCCN(C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


name: [2-[(2-hydroxyethyl)ammonio]ethyl](stearoyl)ammonium hydrogen phosphate
cas: 68134-13-4
formula: C22H46N2O2.H3O4P
inchikey: NTVVCDJPDCRVGD-UHFFFAOYSA-M
norman_susdat_id: NS00092066
smiles: CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH2+]CCO.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C22H46N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-5(2,3)4/h23,25H,2-21H2,1H3,(H,24,26);(H3,1,2,3,4)/p-1


name: 2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazolium dihydrogen phosphate
cas: 68134-14-5
formula: C22H44N2O.H3O4P
inchikey: HMRPOFXYUBTFNV-UHFFFAOYSA-L
norman_susdat_id: NS00091443
smiles: CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C22H44N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h25H,2-21H2,1H3;(H3,1,2,3,4)/p-2


cas: 68134-15-6
chemspiderid: 4896337
dtxsid: DTXSID10887187
formula: C25H50N2O6S1
inchikey: GDVGKWLZJUOVAW-MDZDMXLPSA-N
norman_susdat_id: NS00014082
pubchem_cid: 6365599
smiles: [Na+].CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CCO)CC(O)C[S]([O-])(=O)=O
name:
1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecen-1-yl)amino]ethyl]amino]-, sodium salt (1:1)

inchi:
InChI=1S/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1/b10-9+;


cas: 68134-16-7
chemspiderid: 7850901
dtxsid: DTXSID2071156
formula: C20H19N3O14S4
inchikey: QUCPKFUMCQOBHO-UHFFFAOYSA-N
norman_susdat_id: NS00036432
pubchem_cid: NA
smiles: CC(=O)Nc1c2c(O)c(N=Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)c(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O
name:
2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-

inchi:
InChI=1S/C20H19N3O14S4/c1-11(24)21-16-10-15(39(28,29)30)8-12-9-17(40(31,32)33)19(20(25)18(12)16)23-22-13-2-4-14(5-3-13)38(26,27)7-6-37-41(34,35)36/h2-5,8-10,25H,6-7H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)(H,34,35,36)/b23-22+


cas: 68134-20-3
chemspiderid: 17288027
dtxsid: DTXSID2071158
formula: C40H28Cl1N11O16S3
inchikey: ZZHHEPKITYCYPQ-UHFFFAOYSA-N
norman_susdat_id: NS00036433
pubchem_cid: 16131317
name:
2,7-Naphthalenedisulfonic acid, 4-amino-6-[(2-chloro-4-nitrophenyl)azo]-5-hydroxy-3-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]-

inchi:
InChI=1S/C40H28ClN11O16S3/c41-26-17-24(51(56)57)7-11-27(26)46-50-39-35(71(66,67)68)14-19-13-34(70(63,64)65)38(37(42)36(19)40(39)55)49-48-29-10-6-23(16-32(29)54)43-22-5-9-28(31(53)15-22)47-45-21-3-1-20(2-4-21)44-30-12-8-25(52(58)59)18-33(30)69(60,61)62/h1-18,43-44,53-55H,42H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)/b47-45+,49-48+,50-46+

smiles:
Nc1c2c(O)c(N=Nc3ccc(cc3Cl)[N+](=O)[O-])c(cc2cc(c1N=Nc1ccc(Nc2ccc(N=Nc3ccc(Nc4ccc(cc4S(=O)(=O)O)[N+](=O)[O-])cc3)c(O)c2)cc1O)S(=O)(=O)O)S(=O)(=O)O


cas: 68134-22-5
chemspiderid: 98158
dtxsid: DTXSID50867488
formula: C18H14F3N5O3
inchikey: VBNVBMNKUIJLPP-UHFFFAOYSA-N
norman_susdat_id: NS00005498
pubchem_cid: 109160
smiles: CC(=O)C(N=Nc1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
name:
Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-2-[2-[2-(trifluoromethyl)phenyl]diazenyl]-

inchi:
InChI=1S/C18H14F3N5O3/c1-9(27)15(26-25-12-5-3-2-4-11(12)18(19,20)21)16(28)22-10-6-7-13-14(8-10)24-17(29)23-13/h2-8,15H,1H3,(H,22,28)(H2,23,24,29)


name: 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl stearate
cas: 68134-26-9
dtxsid: DTXSID70218312
formula: C40H78N2O2
inchikey: BEGOFGGVFXBVLG-UHFFFAOYSA-N
norman_susdat_id: NS00063046
pubchem_cid: 109582
smiles: O=C(OCCN1C(=NCC1)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3


name: 1-(2-cyanoethyl)-2-[4-[(2-ethoxyethyl)ethylamino]phenyl]benz[cd]indolium chloride
cas: 68134-32-7
dtxsid: DTXSID00887191
formula: C26H28N3O
inchikey: WSTUXINPHUICKM-UHFFFAOYSA-M
norman_susdat_id: NS00063243
pubchem_cid: 109588
smiles: [Cl-].N#CCC[N+]=1C2=CC=CC=3C=CC=C(C32)C1C=4C=CC(=CC4)N(CC)CCOCC
inchi:
InChI=1/C26H28N3O.ClH/c1-3-28(18-19-30-4-2)22-14-12-21(13-15-22)26-23-10-5-8-20-9-6-11-24(25(20)23)29(26)17-7-16-27;/h5-6,8-15H,3-4,7,17-19H2,1-2H3;1H/q+1;/p-1


name: 2-[[4-(diethylamino)phenyl]azo]-6-ethoxy-3-ethylbenzothiazolium chloride
cas: 68134-33-8
dtxsid: DTXSID60887192
formula: C21H27N4OS
inchikey: SLEICUQLEDIPQH-UHFFFAOYSA-M
norman_susdat_id: NS00062788
pubchem_cid: 109590
smiles: [Cl-].N(=NC=1SC=2C=C(OCC)C=CC2[N+]1CC)C3=CC=C(C=C3)N(CC)CC
inchi:
InChI=1/C21H27N4OS.ClH/c1-5-24(6-2)17-11-9-16(10-12-17)22-23-21-25(7-3)19-14-13-18(26-8-4)15-20(19)27-21;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1


name: 3-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-7-(diethylamino)-5-phenylphenazinium chloride
cas: 68134-34-9
dtxsid: DTXSID30987633
formula: C33H34N7
inchikey: PJKUDEUBYMNDHH-UHFFFAOYSA-M
norman_susdat_id: NS00062789
pubchem_cid: 109592
smiles: [Cl-].N#CCCN(C1=CC=C(N=NC=2C=CC=3N=C4C=CC(=CC4=[N+](C=5C=CC=CC5)C3C2)N(CC)CC)C=C1)CC
inchi:
InChI=1/C33H34N7.ClH/c1-4-38(5-2)29-18-20-31-33(24-29)40(28-11-8-7-9-12-28)32-23-26(15-19-30(32)35-31)37-36-25-13-16-27(17-14-25)39(6-3)22-10-21-34;/h7-9,11-20,23-24H,4-6,10,22H2,1-3H3;1H/q+1;/p-1


name: 1,3,3-trimethyl-2-[1-(methylphenylhydrazono)ethyl]-3H-indolium chloride
cas: 68134-35-0
dtxsid: DTXSID20887193
formula: C20H24N3
inchikey: GBJJMSLCFBLYHV-UHFFFAOYSA-M
norman_susdat_id: NS00063244
pubchem_cid: NA
smiles: [Cl-].N(=C(C1=[N+](C=2C=CC=CC2C1(C)C)C)C)N(C=3C=CC=CC3)C
inchi:
InChI=1/C20H24N3.ClH/c1-15(21-23(5)16-11-7-6-8-12-16)19-20(2,3)17-13-9-10-14-18(17)22(19)4;/h6-14H,1-5H3;1H/q+1;/p-1


name: 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 68134-36-1
dtxsid: DTXSID80887194
formula: C22H26ClN2O
inchikey: XOUITCWYQKMKNU-UHFFFAOYSA-M
norman_susdat_id: NS00062790
pubchem_cid: NA
smiles: [Cl-].ClC=1C=CC2=C(C1)C(C(C=CC3=CC=C(C=C3)N(C)CCO)=[N+]2C)(C)C
inchi:
InChI=1/C22H26ClN2O.ClH/c1-22(2)19-15-17(23)8-11-20(19)25(4)21(22)12-7-16-5-9-18(10-6-16)24(3)13-14-26;/h5-12,15,26H,13-14H2,1-4H3;1H/q+1;/p-1


name: 1,3,3-trimethyl-2-[[methyl(4-phenoxyphenyl)hydrazono]methyl]-3H-indolium chloride
cas: 68134-37-2
dtxsid: DTXSID40887195
formula: C25H26N3O
inchikey: KZMQAMBZFIAEHN-UHFFFAOYSA-M
norman_susdat_id: NS00063047
pubchem_cid: NA
smiles: [Cl-].N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)N(C3=CC=C(OC=4C=CC=CC4)C=C3)C
inchi:
InChI=1/C25H26N3O.ClH/c1-25(2)22-12-8-9-13-23(22)27(3)24(25)18-26-28(4)19-14-16-21(17-15-19)29-20-10-6-5-7-11-20;/h5-18H,1-4H3;1H/q+1;/p-1


name: Propanamide, N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(dimethylamino)phenyl]-
cas: 68134-39-4
chemspiderid: 98509
dtxsid: DTXSID6071164
formula: C18H17I1N6O3
inchikey: WPPWYKPFBBRQQI-UHFFFAOYSA-N
norman_susdat_id: NS00036436
pubchem_cid: 109602
smiles: CCC(=O)Nc1c(ccc(c1)N(C)C)N=Nc1c(I)cc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C18H17IN6O3/c1-4-17(26)21-16-9-12(24(2)3)5-6-15(16)22-23-18-11(10-20)7-13(25(27)28)8-14(18)19/h5-9H,4H2,1-3H3,(H,21,26)


cas: 68134-40-7
chemspiderid: 21162646
dtxsid: DTXSID1071165
formula: C24H28Cl1N5O7
inchikey: UBJAEZNYIDXOAJ-UHFFFAOYSA-N
norman_susdat_id: NS00036437
pubchem_cid: 109603
smiles: CCOC(=O)CCN(CCC(=O)OCC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
name:
.beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

inchi:
InChI=1S/C24H28ClN5O7/c1-4-36-23(32)10-12-29(13-11-24(33)37-5-2)17-6-9-21(22(15-17)26-16(3)31)28-27-20-8-7-18(30(34)35)14-19(20)25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,31)/b28-27-


name: 4-[(benzyl)amino]-9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one
cas: 68134-60-1
dtxsid: DTXSID60887197
formula: C35H30N2O3
inchikey: PVZPAVABUGTGQO-UHFFFAOYSA-N
norman_susdat_id: NS00064297
pubchem_cid: 109164
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C5C(=CC=CC5=C42)NCC=6C=CC=CC6)N(CC)CC)C=7C=CC=CC17
inchi:
InChI=1/C35H30N2O3/c1-3-37(4-2)24-17-19-29-32(21-24)39-31-20-18-25-26(14-10-16-30(25)36-22-23-11-6-5-7-12-23)33(31)35(29)28-15-9-8-13-27(28)34(38)40-35/h5-21,36H,3-4,22H2,1-2H3


cas: 68134-61-2
dtxsid: DTXSID20887198
formula: C31H25F3N2O3
inchikey: MIQPMCGYNFUTPE-UHFFFAOYSA-N
norman_susdat_id: NS00063274
pubchem_cid: 109165
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=CC(=C5)C(F)(F)F)N(CC)CC)C=6C=CC=CC16
name:
6'-(diethylamino)-2'-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C31H25F3N2O3/c1-3-36(4-2)22-13-14-25-28(18-22)38-27-15-12-21(35-20-9-7-8-19(16-20)31(32,33)34)17-26(27)30(25)24-11-6-5-10-23(24)29(37)39-30/h5-18,35H,3-4H2,1-2H3


name: Gacyclidine
cas: 68134-81-6
dtxsid: DTXSID30218313
formula: C16H25NS
inchikey: DKFAAPPUYWQKKF-GOEBONIOSA-N
norman_susdat_id: NS00069838
smiles: C[C@H]1CCCC[C@@]1(c1cccs1)N1CCCCC1
inchi:
InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-,16+/m0/s1


name: Perfluoro-2-(hexyloxy)ethane-1-sulfonic acid potassium salt
cas: 68136-88-9
dtxsid: DTXSID70893406
formula: C8F17KO4S
inchikey: NFHYVHOYTAOBKF-UHFFFAOYSA-M
norman_susdat_id: NS00111371
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF17O4S.K/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1


cas: 68139-99-1
formula: C15H30O3
norman_susdat_id: NS00101248
name:
Amides, coco, N-[2-[(2-hydroxyethyl)amino]ethyl], compds. with polyethylene glycol carboxymethyl tridecyl ether


name: Diethyl sulphate, compound with [[2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]amine (1:1)
cas: 68140-24-9
formula: C22H43N3
inchikey: JELGZKYKLUZXRG-UHFFFAOYSA-N
norman_susdat_id: NS00061535
pubchem_cid: 66689993
smiles: O=S(=O)(OCC)OCC.N1=C(C=CCCCCCCCCCCCCCCC)N(CC1)C(N)C
inchi:
InChI=1/C22H43N3.C4H10O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-19-20-25(22)21(2)23;1-3-7-9(5,6)8-4-2/h17-18,21H,3-16,19-20,23H2,1-2H3;3-4H2,1-2H3


name: Lithium tetrakis(p-fluorophenyl)borate(1-)
cas: 68140-33-0
formula: C24H16BF4.Li
inchikey: CYAALCBETSCAKZ-UHFFFAOYSA-N
norman_susdat_id: NS00090319
smiles: [Li+].Fc1ccc(cc1)[B-](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4
inchi:
InChI=1/C24H16BF4.Li/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1


name: (Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 68140-40-9
formula: C21H39NO3.C4H11NO
inchikey: IUWLFSWVZNBEIJ-GMFCBQQYSA-N
norman_susdat_id: NS00090320
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C21H39NO3.C4H11NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-4(2,5)3-6/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);6H,3,5H2,1-2H3


name: Oleic acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 68140-41-0
formula: C18H34O2.C4H11NO
inchikey: WCDXNKJYIXSLTE-KVVVOXFISA-N
norman_susdat_id: NS00090321
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3


name: 2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate)
cas: 68140-45-4
formula: C6H18NO12P3
inchikey: UITHHINVTNPXDF-UHFFFAOYSA-N
norman_susdat_id: NS00090322
smiles: OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O
inchi:
InChI=1/C6H18NO12P3/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)


name: 4-tridecyl hydrogen 2-dodec-1-enylsuccinate
cas: 68140-46-5
dtxsid: DTXSID50887202
formula: C29H54O4
inchikey: GLFSIVIXYLULGR-UHFFFAOYSA-N
norman_susdat_id: NS00061555
pubchem_cid: 109166
smiles: O=C(OCCCCCCCCCCCCC)CC(C=CCCCCCCCCCC)C(=O)O
inchi:
InChI=1/C29H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-28(30)26-27(29(31)32)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27H,3-21,23,25-26H2,1-2H3,(H,31,32)


name: Benzene, 1,1'-[(3,7-dimethyl-6-octen-1-ylidene)bis(oxy-2,1-ethanediyl)]bis-
cas: 68140-52-3
chemspiderid: 98164
dtxsid: DTXSID90887206
formula: C26H36O2
inchikey: BDZYZYHOKNHVQI-UHFFFAOYSA-N
norman_susdat_id: NS00012235
pubchem_cid: 109168
smiles: CC(CCC=C(C)C)CC(OCCc1ccccc1)OCCc2ccccc2
inchi:
InChI=1S/C26H36O2/c1-22(2)11-10-12-23(3)21-26(27-19-17-24-13-6-4-7-14-24)28-20-18-25-15-8-5-9-16-25/h4-9,11,13-16,23,26H,10,12,17-21H2,1-3H3


name: Methyl 2-[[4-(6,6-dimethyl-2-cyclohexen-1-yl)-2-methyl-3-butenylidene]amino]benzoate
cas: 68140-57-8
dtxsid: DTXSID10887208
formula: C21H27NO2
inchikey: UJEHPJROBVIUFU-UHFFFAOYSA-N
norman_susdat_id: NS00059870
pubchem_cid: 109172
smiles: O=C(OC)C=1C=CC=CC1N=CC(C=CC2C=CCCC2(C)C)C
inchi:
InChI=1/C21H27NO2/c1-16(12-13-17-9-7-8-14-21(17,2)3)15-22-19-11-6-5-10-18(19)20(23)24-4/h5-7,9-13,15-17H,8,14H2,1-4H3


cas: 68140-77-2
formula: C52H102N2O4
norman_susdat_id: NS00101754
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.'',.alpha.'''-[1,4-phenylenebis[methylene(octadecylnitrilio)di-2,1-ethanediyl]]tetrakis[.omega.-hydroxy-, dichloride


name: 2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 68140-79-4
dtxsid: DTXSID60887213
formula: C22H27N2O
inchikey: CNDSGMUBKLFQGY-UHFFFAOYSA-M
norman_susdat_id: NS00059887
pubchem_cid: NA
smiles: [Cl-].OCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C
inchi:
InChI=1/C22H27N2O.ClH/c1-22(2)19-7-5-6-8-20(19)24(4)21(22)14-11-17-9-12-18(13-10-17)23(3)15-16-25;/h5-14,25H,15-16H2,1-4H3;1H/q+1;/p-1


name: (2-hydroxyethyl)(stearoyl)[2-[(stearoyl)ammonio]ethyl]ammonium hydrogen phosphate
cas: 68140-80-7
formula: C40H80N2O3.H3O4P
inchikey: OUJNYAVDKPVBFV-UHFFFAOYSA-M
norman_susdat_id: NS00090725
smiles: CCCCCCCCCCCCCCCCCC(=O)[NH2+]CC[NH+](CCO)C(=O)CCCCCCCCCCCCCCCCC.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C40H80N2O3.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h43H,3-38H2,1-2H3,(H,41,44);(H3,1,2,3,4)/p-1


cas: 68140-84-1
norman_susdat_id: NS00113504
name:
2-Propenoic acid, 2-methyl-, polymer with (chloromethyl)oxirane, 4,4-(1-methylethylidene)bis[2,6-dibromophenol] and 4,4-(1-methylethylidene)bis[phenol]


name: 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 68140-93-2
formula: C24H48N2O
inchikey: QRQIRIUWDGWEPG-UHFFFAOYSA-N
norman_susdat_id: NS00059888
pubchem_cid: NA
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1C=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h18-19,24,27H,3-17,20-23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: Disodium N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxododecyl)glycinate
cas: 68140-95-4
dtxsid: DTXSID5071175
formula: C20H38N2O6
inchikey: ZKSNONAZAXOSIJ-UHFFFAOYSA-L
norman_susdat_id: NS00060521
pubchem_cid: 109625
smiles: [Na+].[Na+].O=C([O-])CN(C(=O)CCCCCCCCCCC)CCN(CC(=O)[O-])CCO
inchi:
InChI=1/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(17-20(27)28)13-12-21(14-15-23)16-19(25)26;;/h23H,2-17H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2


name: 4-Oxazolemethanol, 4-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-
cas: 68140-98-7
chemspiderid: 4941994
dtxsid: DTXSID40867497
formula: C23H43N1O2
inchikey: FYWZXBFLSZJILE-VAWYXSNFSA-N
norman_susdat_id: NS00013662
pubchem_cid: 6437435
smiles: CCCCCCCC/C=C/CCCCCCCC1=NC(CC)(CO)CO1
inchi:
InChI=1S/C23H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h11-12,25H,3-10,13-21H2,1-2H3/b12-11+


name: 2,5-Di-o-toluidinoterephthalic acid
cas: 68140-99-8
chemspiderid: 98530
dtxsid: DTXSID0071178
formula: C22H20N2O4
inchikey: XJNWPYYRBAQKNJ-UHFFFAOYSA-N
norman_susdat_id: NS00036442
pubchem_cid: 109629
smiles: Cc1ccccc1Nc1c(cc(Nc2c(C)cccc2)c(c1)C(=O)O)C(=O)O
inchi:
InChI=1S/C22H20N2O4/c1-13-7-3-5-9-17(13)23-19-11-16(22(27)28)20(12-15(19)21(25)26)24-18-10-6-4-8-14(18)2/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)


name: Chromium(3+) perfluorooctanoate
cas: 68141-02-6
dtxsid: DTXSID00880581
formula: C24CrF45O6
inchikey: ADKVLNPBXBXIJO-UHFFFAOYSA-K
norman_susdat_id: NS00108857
inchi:
InChI=1S/3C8HF15O2.Cr/c3*9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h3*(H,24,25);/q;;;+3/p-3

smiles:
[Cr+3].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1-(1-methylpentadecyl)-4-phenoxybenzene
cas: 68141-03-7
dtxsid: DTXSID20887214
formula: C28H42O
inchikey: ZKDMPXKVJFLUSA-UHFFFAOYSA-N
norman_susdat_id: NS00060480
pubchem_cid: 109180
smiles: O(C=1C=CC=CC1)C2=CC=C(C=C2)C(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C28H42O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-25(2)26-21-23-28(24-22-26)29-27-19-16-14-17-20-27/h14,16-17,19-25H,3-13,15,18H2,1-2H3


name: Stearic acid, compound with 1-dodecylpiperidine (1:1)
cas: 68141-04-8
formula: C18H36O2.C17H35N
inchikey: JYEBFARECSAEKS-UHFFFAOYSA-N
norman_susdat_id: NS00090312
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN1CCCCC1
inchi:
InChI=1/C18H36O2.C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h2-17H2,1H3,(H,19,20);2-17H2,1H3


name: 2-phenoxyethyl 18-phenyloctadecanoate
cas: 68141-05-9
dtxsid: DTXSID80887215
formula: C32H48O3
inchikey: FZJGVNUYIJBUJK-UHFFFAOYSA-N
norman_susdat_id: NS00059948
pubchem_cid: 109632
smiles: O=C(OCCOC=1C=CC=CC1)CCCCCCCCCCCCCCCCCC=2C=CC=CC2
inchi:
InChI=1/C32H48O3/c33-32(35-29-28-34-31-25-19-15-20-26-31)27-21-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22-30-23-17-14-18-24-30/h14-15,17-20,23-26H,1-13,16,21-22,27-29H2


name: Benzeneoctadecanol
cas: 68141-06-0
chemspiderid: 98534
dtxsid: DTXSID4071182
formula: C24H42O1
inchikey: LBVYOCXVSZXQQN-UHFFFAOYSA-N
norman_susdat_id: NS00036443
pubchem_cid: 109633
smiles: OCCCCCCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C24H42O/c25-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22,25H,1-14,16,19-20,23H2


name: Benzyl 11-phenylundecanoate
cas: 68141-07-1
chemspiderid: 98535
dtxsid: DTXSID9071183
formula: C24H32O2
inchikey: ISTWNOJYTFQNFE-UHFFFAOYSA-N
norman_susdat_id: NS00036444
pubchem_cid: 109634
smiles: O=C(CCCCCCCCCCc1ccccc1)OCc1ccccc1
inchi:
InChI=1S/C24H32O2/c25-24(26-21-23-18-12-8-13-19-23)20-14-6-4-2-1-3-5-9-15-22-16-10-7-11-17-22/h7-8,10-13,16-19H,1-6,9,14-15,20-21H2


name: Phenol, 4-chloro-3,5-dimethyl-, triester with boric acid (H3BO3)
cas: 68141-09-3
chemspiderid: 98536
dtxsid: DTXSID4071184
formula: C24H24B1Cl3O3
inchikey: FABFFRBRJHMMPT-UHFFFAOYSA-N
norman_susdat_id: NS00036445
pubchem_cid: 109635
smiles: Cc1cc(OB(Oc2cc(C)c(Cl)c(C)c2)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl
inchi:
InChI=1S/C24H24BCl3O3/c1-13-7-19(8-14(2)22(13)26)29-25(30-20-9-15(3)23(27)16(4)10-20)31-21-11-17(5)24(28)18(6)12-21/h7-12H,1-6H3


name: 3-Phenylpropyl octanoate
cas: 68141-25-3
chemspiderid: 98540
dtxsid: DTXSID4071188
formula: C17H26O2
inchikey: OZLRQNRZFQXBQQ-UHFFFAOYSA-N
norman_susdat_id: NS00036450
pubchem_cid: 109639
smiles: CCCCCCCC(=O)OCCCc1ccccc1
inchi:
InChI=1S/C17H26O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3


name: bis(Perfluorobutylsulfonyl)methylenephenyliodine
cas: 681477-42-9
dtxsid: DTXSID50897467
formula: C15H5F18IO4S2
inchikey: JSICGBRQXBLHDU-UHFFFAOYSA-N
norman_susdat_id: NS00110836
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C(=[I]C1=CC=CC=C1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H5F18IO4S2/c16-8(17,12(24,25)26)10(20,21)14(30,31)39(35,36)7(34-6-4-2-1-3-5-6)40(37,38)15(32,33)11(22,23)9(18,19)13(27,28)29/h1-5H


name: Delamanid
cas: 681492-22-8
chebiid: CHEBI:134742
dtxsid: DTXSID60218326
formula: C25H25F3N4O6
inchikey: XDAOLTSRNUSPPH-XMMPIXPASA-N
norman_susdat_id: NS00072495
pubchem_cid: 6480466
smiles: C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
inchi:
InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1


name: 1,2,3,6,7,8,11,12-Octahydrobenzo(e)pyren-9(10H)-one
cas: 68151-08-6
chemspiderid: 136573
dtxsid: DTXSID80218328
formula: C20H20O1
inchikey: UIJOUFUKJPLQEK-UHFFFAOYSA-N
norman_susdat_id: NS00036451
pubchem_cid: 155017
smiles: O=C1CCCc2c3CCCc4ccc5CCCc(c12)c5c34
inchi:
InChI=1S/C20H20O/c21-17-9-3-7-15-14-6-1-4-12-10-11-13-5-2-8-16(20(15)17)19(13)18(12)14/h10-11H,1-9H2


name: Amines, di-C12-18-alkyl
cas: 68153-95-7
dtxsid: DTXSID5028401
formula: C30H63N
inchikey: YDFFPEXFCAUTSL-UHFFFAOYSA-N
norman_susdat_id: NS00066294
pubchem_cid: 109642
smiles: N(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C30H63N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3


name: Chloroisobutylmethylaluminium
cas: 68155-49-7
formula: C5H12AlCl
inchikey: CIKVOVDLYAFSMH-UHFFFAOYSA-M
norman_susdat_id: NS00091597
smiles: CC(C)C[Al](C)Cl
inchi:
InChI=1/C4H9.CH3.Al.ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;1H3;;1H/q;;+1;/p-1/rC5H12AlCl/c1-5(2)4-6(3)7/h5H,4H2,1-3H3


name: 3,4-Diisopropylphenyl diphenyl phosphate
cas: 68155-51-1
chemspiderid: 98551
dtxsid: DTXSID3071191
formula: C24H27O4P1
inchikey: CGYONFZXYNCFCN-UHFFFAOYSA-N
norman_susdat_id: NS00022676
pubchem_cid: 109653
smiles: CC(C)c1c(cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)C(C)C
inchi:
InChI=1S/C24H27O4P/c1-18(2)23-16-15-22(17-24(23)19(3)4)28-29(25,26-20-11-7-5-8-12-20)27-21-13-9-6-10-14-21/h5-19H,1-4H3


name: 12-hydroxy-N-octadecyloctadecan-1-amide
cas: 68155-52-2
dtxsid: DTXSID80886344
formula: C36H73NO2
inchikey: XJOOKFNMTRPLEG-UHFFFAOYSA-N
norman_susdat_id: NS00064329
pubchem_cid: 109189
smiles: O=C(NCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C36H73NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-37-36(39)33-29-25-22-19-18-21-24-28-32-35(38)31-27-8-6-4-2/h35,38H,3-34H2,1-2H3,(H,37,39)


name: Ethanol, 2-[(5-amino-2,4-dimethylphenyl)sulfonyl]-, hydrogen sulfate (ester)
cas: 68155-53-3
chemspiderid: 98552
dtxsid: DTXSID8071192
formula: C10H15N1O6S2
inchikey: QYHZDQDUNZFEGY-UHFFFAOYSA-N
norman_susdat_id: NS00036454
pubchem_cid: 109654
smiles: Cc1cc(C)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O
inchi:
InChI=1S/C10H15NO6S2/c1-7-5-8(2)10(6-9(7)11)18(12,13)4-3-17-19(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)


name: Perfluoro-2-nonylpentahydropyran
cas: 68155-54-4
chemspiderid: 98181
dtxsid: DTXSID60880582
formula: C14F28O1
inchikey: RABDXRSZMMTNLB-UHFFFAOYSA-N
norman_susdat_id: NS00011167
pubchem_cid: 109190
smiles: O1C(F)(F)C(F)(F)C(C(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C14F28O/c15-1(16,2(17,18)4(21,22)6(25,26)10(33,34)13(38,39)40)3(19,20)5(23,24)8(29,30)12(37)9(31,32)7(27,28)11(35,36)14(41,42)43-12


name: Octadecanamide, N-(2-aminoethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]-
cas: 68155-57-7
chemspiderid: 98553
dtxsid: DTXSID3071193
formula: C40H81N3O2
inchikey: SMLNXMNSNZBSKW-UHFFFAOYSA-N
norman_susdat_id: NS00036455
pubchem_cid: 109655
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H81N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-36-38-43(37-35-41)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,41H2,1-2H3,(H,42,44)


cas: 68155-60-2
dtxsid: DTXSID2041254
formula: C39H34N10O14S4
inchikey: DSZRDVVIJSSFRS-UHFFFAOYSA-J
norman_susdat_id: NS00064330
pubchem_cid: 176278
name:
Tetrasodium 3,3'-[[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis(imino-4,1-phenyleneazo)]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C39H34N10O14S4.4Na/c50-17-15-49(16-18-51)39-43-37(40-23-7-11-25(12-8-23)45-47-27-19-31-29(35(21-27)66(58,59)60)3-1-5-33(31)64(52,53)54)42-38(44-39)41-24-9-13-26(14-10-24)46-48-28-20-32-30(36(22-28)67(61,62)63)4-2-6-34(32)65(55,56)57;;;;/h1-14,19-22,50-51H,15-18H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,40,41,42,43,44);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC3=CC=C(C=C3)NC=4N=C(N=C(N4)N(CCO)CCO)NC5=CC=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C=C5)=CC2S(=O)(=O)[O-]


cas: 68155-61-3
dtxsid: DTXSID50889786
formula: C38H28N8O10S3
inchikey: QAWLEODSWNERLS-UHFFFAOYSA-K
norman_susdat_id: NS00062828
pubchem_cid: 135853559
name:
Trisodium 4-amino-5-hydroxy-3-[[4-[[4-(phenylamino)-5-sulphonato-1-naphthyl]azo]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C38H28N8O10S3.3Na/c39-35-33-22(21-32(59(54,55)56)37(38(33)47)46-42-24-10-5-2-6-11-24)20-31(58(51,52)53)36(35)45-43-26-16-14-25(15-17-26)41-44-28-18-19-29(40-23-8-3-1-4-9-23)34-27(28)12-7-13-30(34)57(48,49)50;;;/h1-21,40,47H,39H2,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC2=C(N=NC3=CC=C(N=NC=4C(N)=C5C(C=C(C(N=NC=6C=CC=CC6)=C5O)S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])C=C3)C=CC(NC=7C=CC=CC7)=C21


cas: 68155-62-4
dtxsid: DTXSID10889787
formula: C22H15ClF2N6O7S2
inchikey: PJFSGBWVNVLHPM-UHFFFAOYSA-L
norman_susdat_id: NS00063068
pubchem_cid: 109661
name:
Disodium 7-[[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C22H15ClF2N6O7S2.2Na/c1-10(32)26-17-8-12(27-21-19(23)20(24)28-22(25)29-21)4-5-16(17)31-30-13-3-2-11-6-14(39(33,34)35)9-18(15(11)7-13)40(36,37)38;;/h2-9H,1H3,(H,26,32)(H,27,28,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC=C1N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC=4N=C(F)N=C(F)C4Cl)C


cas: 68155-63-5
dtxsid: DTXSID70889788
formula: C28H20N9O16S2
inchikey: WMEHWGRJJSAYSJ-UHFFFAOYSA-L
norman_susdat_id: NS00064331
pubchem_cid: NA
name:
Disodium 5-[[2,4-dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H17N9O16S2.2Na/c38-22-11-23(39)18(10-17(22)30-29-13-1-3-14(4-2-13)35(42)43)31-32-19-9-16(54(48,49)50)5-12-6-24(55(51,52)53)26(28(41)25(12)19)34-33-20-7-15(36(44)45)8-21(27(20)40)37(46)47;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC(=CC4=CC(=C(N=NC=5C=C(C=C(C5O)[N+](=O)[O-])[N+](=O)[O-])C(O)=C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC2O)C=C1


cas: 68155-68-0
formula: C32H24Cl2N10O12S4.2K.2Na
inchikey: UPBSFSNMZCAJDJ-MBCFVHIPSA-J
norman_susdat_id: NS00091470
name:
Dipotassium disodium 4,4'-bis[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C32H24Cl2N10O12S4.2K.2Na/c33-27-39-29(35-19-7-11-23(12-8-19)57(45,46)47)43-31(41-27)37-21-5-3-17(25(15-21)59(51,52)53)1-2-18-4-6-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-9-13-24(14-10-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[K+].[K+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Cl)nc(Nc6ccc(cc6)S(=O)(=O)[O-])n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n2)cc1


cas: 68155-70-4
chemspiderid: 4942046
dtxsid: DTXSID8071196
formula: C40H44N12O16S4
inchikey: RPHSYODFTDVORM-UHFFFAOYSA-J
norman_susdat_id: NS00020226
pubchem_cid: 109667
name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt

inchi:
InChI=1S/C40H44N12O16S4/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b2-1+

smiles:
[Na+].[Na+].[K+].[K+].OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc2ccc(/C=C/c3c(cc(Nc4nc(Nc5ccc(cc5)S(=O)(=O)[O-])nc(n4)N(CCO)CCO)cc3)S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1


cas: 68155-71-5
formula: C35H33N7O7
inchikey: NWOKKZCOSYPGDQ-UHFFFAOYSA-N
norman_susdat_id: NS00063091
pubchem_cid: 109669
smiles: O=C(NC1=CC=C(N=NC(C(=O)NC=2C=CC=CC2OC)C(=O)C)C=C1)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4OC)C(=O)C)C=C3
name:
4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-N-[4-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]benzamide

inchi:
InChI=1/C35H33N7O7/c1-21(43)31(34(46)37-27-9-5-7-11-29(27)48-3)41-39-25-15-13-23(14-16-25)33(45)36-24-17-19-26(20-18-24)40-42-32(22(2)44)35(47)38-28-10-6-8-12-30(28)49-4/h5-20,31-32H,1-4H3,(H,36,45)(H,37,46)(H,38,47)


name: 4-(hexahydro-1H-azepin-1-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 68155-74-8
formula: C12H16N3.1/2Cl4Zn
inchikey: HIUVXTNLUOXESA-UHFFFAOYSA-J
norman_susdat_id: NS00091471
smiles: Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCCCCC2.N#[N+]c3ccc(cc3)N4CCCCCC4
inchi:
InChI=1/2C12H16N3.4ClH.Zn/c2*13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;;;;;/h2*5-8H,1-4,9-10H2;4*1H;/q2*+1;;;;;+2/p-4/r2C12H16N3.Cl4Zn/c2*13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;1-5(2,3)4/h2*5-8H,1-4,9-10H2;/q2*+1;-2


name: Heptasodium trihydrogen [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate
cas: 68155-78-2
formula: C9H28N3O15P5.7Na
inchikey: OIPXXWBYRWQVLJ-UHFFFAOYSA-D
norman_susdat_id: NS00091472
inchi:
InChI=1/C9H28N3O15P5.7Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;/q;7*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with (Z)-octadec-9-en-1-amine (1:1)
cas: 68155-94-2
formula: C18H37N.C16H35O4P
inchikey: IXJZJRRYKPCXHG-KVVVOXFISA-N
norman_susdat_id: NS00091487
smiles: CCCCCCCC\C=C/CCCCCCCCN.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
inchi:
InChI=1/C18H37N.C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h9-10H,2-8,11-19H2,1H3;15-16H,5-14H2,1-4H3,(H,17,18)


name: 2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-
cas: 68155-95-3
chemspiderid: 98564
dtxsid: DTXSID0071201
formula: C17H19Cl1N2O1
inchikey: NYHORWIVCVFYFV-UHFFFAOYSA-N
norman_susdat_id: NS00036458
pubchem_cid: 109675
smiles: CCN(CC)c1cc(C)c(cc1)N=C1C=CC(=O)C(=C1)Cl
inchi:
InChI=1S/C17H19ClN2O/c1-4-20(5-2)14-7-8-16(12(3)10-14)19-13-6-9-17(21)15(18)11-13/h6-11H,4-5H2,1-3H3/b19-13-


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with tert-dodecylamine (1:1)
cas: 68155-99-7
dtxsid: DTXSID1029417
formula: C28H62NO4P
inchikey: HBZGWNIYRGIOLH-UHFFFAOYSA-N
norman_susdat_id: NS00075958
smiles: CC(C)(C)CCCCCCCCN.CCCCC(CC)COP(O)(=O)OCC(CC)CCCC
inchi:
InChI=1/C16H35O4P.C12H27N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-12(2,3)10-8-6-4-5-7-9-11-13/h15-16H,5-14H2,1-4H3,(H,17,18);4-11,13H2,1-3H3


name: Cyclohexanesulfonic acid, nonafluorobis(trifluoromethyl)-, potassium salt (1:1)
cas: 68156-01-4
chemspiderid: 143221
dtxsid: DTXSID80880584
formula: C8H1F15O3S1
inchikey: XLDBMBOTMFUENJ-LWMBPPNESA-N
norman_susdat_id: NS00011436
pubchem_cid: 98110248
smiles: O=[S]([O-])(=O)C1(C(F)(C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F)C(F)(F)F.[K+]
inchi:
InChI=1S/C8HF15O3S.K/c9-1(7(18,19)20)2(8(21,22)23,27(24,25)26)4(12,13)6(16,17)5(14,15)3(1,10)11;/h(H,24,25,26);/q;+1/p-1


name: Bis(chlorophenyl)phenylsulphonium hexafluorophosphate(1-)
cas: 68156-03-6
dtxsid: DTXSID10987656
formula: C18H13Cl2S
inchikey: CLMBFRSSQDPLCK-UHFFFAOYSA-N
norman_susdat_id: NS00063357
pubchem_cid: 53470578
smiles: F[P-](F)(F)(F)(F)F.ClC=1C=CC=CC1[S+](C=2C=CC=CC2)C=3C=CC=CC3Cl
inchi:
InChI=1/C18H13Cl2S.F6P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-7(2,3,4,5)6/h1-13H;/q+1;-1


name: (chlorophenyl)diphenylsulphonium hexafluorophosphate(1-)
cas: 68156-05-8
dtxsid: DTXSID70987657
formula: C18H14ClS
inchikey: YCNYKERCFBINBA-UHFFFAOYSA-N
norman_susdat_id: NS00063358
pubchem_cid: 53470579
smiles: F[P-](F)(F)(F)(F)F.ClC=1C=CC=CC1[S+](C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C18H14ClS.F6P/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-7(2,3,4,5)6/h1-14H;/q+1;-1


name: Cyclohexanesulfonic acid, decafluoro(trifluoromethyl)-, potassium salt (TSCA, DSL, AICS)
cas: 68156-07-0
chemspiderid: 143223
formula: C7H1F13O3S1
inchikey: MNVKTKIHXLQSLM-UHFFFAOYSA-N
norman_susdat_id: NS00011435
pubchem_cid: 163196
smiles: O=[S]([O-])(=O)C1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.[K+]
inchi:
InChI=1S/C7HF13O3S.K/c8-2(9)1(7(18,19)20,24(21,22)23)3(10,11)5(14,15)6(16,17)4(2,12)13;/h(H,21,22,23);/q;+1/p-1


name: (chlorophenyl)[[(chlorophenyl)thio]phenyl]phenylsulphonium hexafluorophosphate(1-)
cas: 68156-09-2
formula: C24H17Cl2S2
inchikey: VMCDLVNAAHQBKT-UHFFFAOYSA-N
norman_susdat_id: NS00064374
pubchem_cid: 91998076
smiles: F[P-](F)(F)(F)(F)F.ClC=1C=CC=CC1SC=2C=CC=CC2[S+](C=3C=CC=CC3)C=4C=CC=CC4Cl
inchi:
InChI=1/C24H17Cl2S2.F6P/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26;1-7(2,3,4,5)6/h1-17H;/q+1;-1


name: [[(chlorophenyl)thio]phenyl]diphenylsulphonium hexafluorophosphate(1-)
cas: 68156-11-6
formula: C24H18ClS2
inchikey: TYARKGONSXUKEA-UHFFFAOYSA-N
norman_susdat_id: NS00063359
pubchem_cid: 90474773
smiles: F[P-](F)(F)(F)(F)F.ClC=1C=CC=CC1SC=2C=CC=CC2[S+](C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C24H18ClS2.F6P/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20;1-7(2,3,4,5)6/h1-18H;/q+1;-1


name: Diphenyl[(phenylthio)phenyl]sulphonium hexafluorophosphate(1-)
cas: 68156-13-8
dtxsid: DTXSID30987658
formula: C24H19S2
inchikey: SFWSATMGMAKCIF-UHFFFAOYSA-N
norman_susdat_id: NS00064375
pubchem_cid: 155018
smiles: F[P-](F)(F)(F)(F)F.S(C=1C=CC=CC1)C=2C=CC=CC2[S+](C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C24H19S2.F6P/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-7(2,3,4,5)6/h1-19H;/q+1;-1


cas: 68162-29-8
formula: C25H28Cl2N3O4S
inchikey: ZGMJSLOKTMOPIY-UHFFFAOYSA-N
norman_susdat_id: NS00062857
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC
name:
2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium

inchi:
InChI=1/C25H27Cl2N3O4S/c1-3-28-21-16-18(26)19(27)17-22(21)30(14-7-8-15-35(31,32)33)24(28)12-9-13-25-29(4-2)20-10-5-6-11-23(20)34-25/h5-6,9-13,16-17H,3-4,7-8,14-15H2,1-2H3


cas: 68171-28-8
norman_susdat_id: NS00113538
name:
2,5-Furandione, polymer with 1,2-ethanediol, 2,2-oxybis[ethanol] and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene


name: 2,2',2''-nitrilotrisethyl tris(dihydrogen phosphate), sodium salt
cas: 68171-29-9
formula: C6H18NO12P3.xNa
inchikey: PKDCIYMJLFIYQY-UHFFFAOYSA-M
norman_susdat_id: NS00091621
smiles: [Na+].OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)[O-]
inchi:
InChI=1/C6H18NO12P3.Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);/q;+1/p-1


name: Trichloracetaldehyde di(phenylethyl)acetal
cas: 68171-30-2
chemspiderid: 98570
dtxsid: DTXSID5071204
formula: C18H19Cl3O2
inchikey: LMQHAMIDZPBQNY-UHFFFAOYSA-N
norman_susdat_id: NS00036460
pubchem_cid: 109681
smiles: ClC(Cl)(Cl)C(OCCc1ccccc1)OCCc1ccccc1
inchi:
InChI=1S/C18H19Cl3O2/c19-18(20,21)17(22-13-11-15-7-3-1-4-8-15)23-14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2


name: PROPYLENE GLYCOL ISO- STEARATE
cas: 68171-38-0
chemspiderid: 98571
formula: C21H42O3
inchikey: BJRXGOFKVBOFCO-UHFFFAOYSA-N
norman_susdat_id: NS00014019
pubchem_cid: 109682
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O
inchi:
InChI=1S/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-18-20(3)22/h19-20,22H,4-18H2,1-3H3


cas: 68171-42-6
formula: C20H37NO2
norman_susdat_id: NS00101907
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]amino]ethyl]-.omega.-hydroxy-


name: Bis(2-hydroxyethyl)ammonium (Z)-hexadec-9-enoate
cas: 68171-51-7
formula: C16H30O2.C4H11NO2
inchikey: WMTVNSRGDKFVBA-CFYXSCKTSA-N
norman_susdat_id: NS00091490
smiles: CCCCCC\C=C/CCCCCCCC(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C16H30O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h7-8H,2-6,9-15H2,1H3,(H,17,18);5-7H,1-4H2


name: 9,12-Octadecadienamide, N-(2-hydroxyethyl)-, (9Z,12Z)-
cas: 68171-52-8
chebiid: CHEBI:93530
chemspiderid: 4510078
dtxsid: DTXSID10887223
formula: C20H37N1O2
inchikey: KQXDGUVSAAQARU-UHFFFAOYSA-N
norman_susdat_id: NS00003368
pubchem_cid: 2183
smiles: CCCCCC=CCC=CCCCCCCCC(=O)NCCO
inchi:
InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)


name: Calcium 12-(acetoxy)octadecanoate
cas: 68171-61-9
dtxsid: DTXSID40890967
formula: C20H38O4
inchikey: OELKSGXMBPJHFW-UHFFFAOYSA-L
norman_susdat_id: NS00062858
pubchem_cid: 109201
smiles: [Ca+2].O=C(OC(CCCCCC)CCCCCCCCCCC(=O)[O-])C.O=C(OC(CCCCCC)CCCCCCCCCCC(=O)[O-])C
inchi:
InChI=1/2C20H38O4.Ca/c2*1-3-4-5-12-15-19(24-18(2)21)16-13-10-8-6-7-9-11-14-17-20(22)23;/h2*19H,3-17H2,1-2H3,(H,22,23);/q;;+2/p-2


name: Olaflur
cas: 6818-37-7
formula: C27H58N2O3.2FH
inchikey: ZVVSSOQAYNYNPP-UHFFFAOYSA-N
norman_susdat_id: NS00100218
smiles: F.F.CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO
inchi:
InChI=1/C27H58N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32;;/h30-32H,2-27H2,1H3;2*1H


cas: 681800-09-9
dtxsid: DTXSID10882915
norman_susdat_id: NS00109279
name:
Poly(cyclohexan-1-yl methacrylate)-co-(oxiran-2-ylmethyl methacrylate)-co-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-yl methacrylate)


cas: 68182-34-3
dtxsid: DTXSID30880594
norman_susdat_id: NS00109917
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1-difluoroethene, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]propane and tetrafluoroethene


name: 1,2,4-Benzenetricarboxylic acid, 2-ethylhexyl ester
cas: 68186-31-2
dtxsid: DTXSID30887225
formula: C17H22O6
inchikey: BPAVWKYYIPGEQX-UHFFFAOYSA-N
norman_susdat_id: NS00064378
pubchem_cid: 111354
smiles: O=C(O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)O
inchi:
InChI=1/C17H22O6/c1-3-5-6-11(4-2)10-23-17(22)13-8-7-12(15(18)19)9-14(13)16(20)21/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)(H,20,21)


cas: 68186-34-5
formula: C18H35O5P
norman_susdat_id: NS00101460
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(9Z)-1-oxo-9-octadecenyl]-.omega.-hydroxy-, phosphate, sodium salt


name: 1-Eicosanol, phosphate, sodium salt
cas: 68186-38-9
formula: -
inchikey: QCEJZYQGFKCJPX-UHFFFAOYSA-L
norman_susdat_id: NS00091359
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C20H43O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H2,21,22,23);/q;+1/p-2


name: Phosphoric acid, decyl octyl ester
cas: 68186-45-8
dtxsid: DTXSID10893809
formula: C18H39O4P
inchikey: RHDXLWRMKPYIFH-UHFFFAOYSA-N
norman_susdat_id: NS00063387
pubchem_cid: 112723
smiles: O=P(O)(OCCCCCCCC)OCCCCCCCCCC
inchi:
InChI=1/C18H39O4P/c1-3-5-7-9-11-12-14-16-18-22-23(19,20)21-17-15-13-10-8-6-4-2/h3-18H2,1-2H3,(H,19,20)


name: 9-Octadecenamide, N,N-bis(2-hydroxyethyl)-, (9Z)-, phosphate (ester)
cas: 68186-53-8
chemspiderid: 4942049
dtxsid: DTXSID0071209
formula: C22H44N1O6P1
inchikey: FJTUMYJUEPRCCL-UHFFFAOYSA-N
norman_susdat_id: NS00022677
pubchem_cid: 109691
smiles: CCCCCCCC/C=CCCCCCCCC(=O)N(CCO)CCOP(=O)(O)O
inchi:
InChI=1S/C22H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23(18-20-24)19-21-29-30(26,27)28/h9-10,24H,2-8,11-21H2,1H3,(H2,26,27,28)/b10-9-


cas: 68187-25-7
dtxsid: DTXSID10882990
norman_susdat_id: NS00109286
name:
Butanoic acid, 4-[[3-(dimethylamino) propyl]amino]-4-oxo-, 2(or 3)-[(.gamma.-.omega.-perfluoro-C6-20-alkyl)thio] derivs.


cas: 68187-47-3
dtxsid: DTXSID60882960
norman_susdat_id: NS00110994
name:
1-Propanesulfonic acid, 2-methyl-, 2-[[1-oxo-3-[(.gamma.-.omega.-perfluoro-C4-16-alkyl)thio]propyl]amino]derivs.., sodium salts


cas: 68187-69-9
dtxsid: DTXSID5097408
norman_susdat_id: NS00075959
name:
Quaternary ammonium compounds, (hydrogenated tallow alkyl)bis(hydroxyethyl)methyl, ethoxylated, chlorides


name: Tetrapotassium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 68188-96-5
formula: C6H20N2O12P4.4K
inchikey: AUMOSEQHACNXEW-UHFFFAOYSA-F
norman_susdat_id: NS00090087
smiles: [K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H20N2O12P4.4K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-8


name: Phosphoric acid, 2-ethylhexyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 68189-01-5
formula: -
inchikey: PTJVHHCXRTWYEX-UHFFFAOYSA-N
norman_susdat_id: NS00090048
smiles: CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C8H19O4P.C6H15NO3/c1-3-5-6-8(4-2)7-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H2,9,10,11);8-10H,1-6H2


name: Barium 2-[(1-hydroxy-2-naphthyl)azo]naphthalenesulphonate (1:2)
cas: 68189-18-4
dtxsid: DTXSID9071212
formula: C20H14N2O4S
inchikey: PHDCZUUZVMTRPX-UHFFFAOYSA-L
norman_susdat_id: NS00059407
pubchem_cid: 109704
inchi:
InChI=1/2C20H14N2O4S.Ba/c2*23-19-15-7-3-1-5-13(15)9-11-17(19)21-22-18-12-10-14-6-2-4-8-16(14)20(18)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2

smiles:
[Ba].O=S(=O)([O-])C1=C(N=NC=2C=CC=3C=CC=CC3C2O)C=CC=4C=CC=CC41.O=S(=O)([O-])C1=C(N=NC=2C=CC=3C=CC=CC3C2O)C=CC=4C=CC=CC41


name: [3-[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]ethylammonium ethyl sulphate
cas: 68189-22-0
dtxsid: DTXSID40887231
formula: C45H89N4O2
inchikey: HRXITENIGSVCFD-UHFFFAOYSA-N
norman_susdat_id: NS00059910
pubchem_cid: 176304
smiles: O=C(NCCN(CCC#[N+]CC)CCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(41-35-38-46-6-3)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)


name: 4-[(Diphenylhydrazinylidene)methyl]-N,N-diethylaniline
cas: 68189-23-1
chemspiderid: 83399
dtxsid: DTXSID9052399
formula: C23H25N3
inchikey: YGBCLRRWZQSURU-UHFFFAOYSA-N
norman_susdat_id: NS00036464
pubchem_cid: 92377
smiles: CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1
inchi:
InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3/b24-19+


name: Calcium bis[2-chloro-6-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 68189-24-2
formula: C17H13ClN2O4S.1/2Ca
inchikey: WXNCKGDQVKFDFH-UHFFFAOYSA-L
norman_susdat_id: NS00090560
inchi:
InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-14(18)8-12(25(22,23)24)9-15(10)19-20-17-13-5-3-2-4-11(13)6-7-16(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ca+2].Cc3c(N=Nc1c2ccccc2ccc1O)cc(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)c(N=Nc1c2ccccc2ccc1O)c3


name: Barium 1-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate(1:2)
cas: 68189-25-3
dtxsid: DTXSID9071216
formula: C20H14N2O4S
inchikey: ASAFXQGIKWQMRJ-UHFFFAOYSA-L
norman_susdat_id: NS00063133
pubchem_cid: 109709
inchi:
InChI=1/2C20H14N2O4S.Ba/c2*23-17-11-9-13-5-1-3-7-15(13)19(17)21-22-20-16-8-4-2-6-14(16)10-12-18(20)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2

smiles:
[Ba].O=S(=O)([O-])C=1C=CC=2C=CC=CC2C1N=NC3=C(O)C=CC=4C=CC=CC43.O=S(=O)([O-])C=1C=CC=2C=CC=CC2C1N=NC3=C(O)C=CC=4C=CC=CC43


name: 1,5-Naphthalenedisulfonic acid, 3-(acetylamino)-
cas: 68189-30-0
chemspiderid: 98589
dtxsid: DTXSID9071218
formula: C12H11N1O7S2
inchikey: MVPUPRCGSNHKTN-UHFFFAOYSA-N
norman_susdat_id: NS00036466
pubchem_cid: 109711
smiles: CC(=O)Nc1cc2c(cccc2c(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C12H11NO7S2/c1-7(14)13-8-5-10-9(12(6-8)22(18,19)20)3-2-4-11(10)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)


name: 2,7-Naphthalenedisulfonic acid, 4-[(3-aminobenzoyl)amino]-5-hydroxy-
cas: 68189-31-1
chemspiderid: 98590
dtxsid: DTXSID4071219
formula: C17H14N2O8S2
inchikey: MLHWJIBYLDMVLQ-UHFFFAOYSA-N
norman_susdat_id: NS00036467
pubchem_cid: 109712
smiles: Nc1cc(ccc1)C(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C17H14N2O8S2/c18-11-3-1-2-9(4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)


name: 2-Naphthalenesulfonic acid, 6-(acetylamino)-
cas: 68189-32-2
chemspiderid: 98591
dtxsid: DTXSID3071220
formula: C12H11N1O4S1
inchikey: ANUPUAXCNMXHNF-UHFFFAOYSA-N
norman_susdat_id: NS00036468
pubchem_cid: 109713
smiles: CC(=O)Nc1cc2c(cc1)cc(cc2)S(=O)(=O)O
inchi:
InChI=1S/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)


name: 2-Naphthalenesulfonic acid, 4-hydroxy-7-[(1-oxodecyl)amino]-
cas: 68189-33-3
chemspiderid: 98592
dtxsid: DTXSID8071221
formula: C20H27N1O5S1
inchikey: XMKRRRYSJWEMTR-UHFFFAOYSA-N
norman_susdat_id: NS00036469
pubchem_cid: 109714
smiles: CCCCCCCCCC(=O)Nc1cc2c(cc1)c(O)cc(c2)S(=O)(=O)O
inchi:
InChI=1S/C20H27NO5S/c1-2-3-4-5-6-7-8-9-20(23)21-16-10-11-18-15(12-16)13-17(14-19(18)22)27(24,25)26/h10-14,22H,2-9H2,1H3,(H,21,23)(H,24,25,26)


name: 1,2-Benzenedicarboxylic acid, 4-sulfo-, 1-dodecyl ester, disodium salt
cas: 68189-35-5
chemspiderid: 95055
dtxsid: DTXSID8071223
formula: C20H30O7S1
inchikey: BAHDSEDXXPEHOT-UHFFFAOYSA-L
norman_susdat_id: NS00036471
pubchem_cid: 109716
smiles: [Na+].[Na+].CCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C20H30O7S/c1-2-3-4-5-6-7-8-9-10-11-14-27-20(23)17-13-12-16(28(24,25)26)15-18(17)19(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,24,25,26)


name: Propanamide, N-[3-[bis(2-hydroxyethyl)amino]phenyl]-
cas: 68189-36-6
chemspiderid: 98596
dtxsid: DTXSID3071224
formula: C13H20N2O3
inchikey: YDTRGLRXKJCCLV-UHFFFAOYSA-N
norman_susdat_id: NS00036472
pubchem_cid: 109718
smiles: CCC(=O)Nc1cccc(c1)N(CCO)CCO
inchi:
InChI=1S/C13H20N2O3/c1-2-13(18)14-11-4-3-5-12(10-11)15(6-8-16)7-9-17/h3-5,10,16-17H,2,6-9H2,1H3,(H,14,18)


name: [1,1'-Biphenyl]-3-sulfonic acid, 4'-(acetylamino)-4-[(3-aminobenzoyl)amino]-
cas: 68189-37-7
chemspiderid: 98597
dtxsid: DTXSID8071225
formula: C21H19N3O5S1
inchikey: PPGMTXJUPIBUQX-UHFFFAOYSA-N
norman_susdat_id: NS00036473
pubchem_cid: 109719
smiles: CC(=O)Nc1ccc(cc1)c1cc(c(NC(=O)c2cc(N)ccc2)cc1)S(=O)(=O)O
inchi:
InChI=1S/C21H19N3O5S/c1-13(25)23-18-8-5-14(6-9-18)15-7-10-19(20(12-15)30(27,28)29)24-21(26)16-3-2-4-17(22)11-16/h2-12H,22H2,1H3,(H,23,25)(H,24,26)(H,27,28,29)


cas: 68189-39-9
dtxsid: DTXSID8071227
formula: C20H19N3O11S3
inchikey: WUUGKDUMIQMLDN-UHFFFAOYSA-N
norman_susdat_id: NS00062907
pubchem_cid: 174476
smiles: O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)C
name:
2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-

inchi:
InChI=1/C20H19N3O11S3/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)


name: p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
cas: 68189-42-4
formula: C6H6NO6P.2C4H11NO3
inchikey: XXAXKCWOTRABOW-UHFFFAOYSA-N
norman_susdat_id: NS00091636
smiles: NC(CO)(CO)CO.NC(CO)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2


name: ß,ß'-dihydroxypiperazine-1,4-dipropanesulphonic acid
cas: 68189-43-5
dtxsid: DTXSID60887233
formula: C10H22N2O8S2
inchikey: LVQFQZZGTZFUNF-UHFFFAOYSA-N
norman_susdat_id: NS00063401
pubchem_cid: NA
smiles: O=S(=O)(O)CC(O)CN1CCN(CC1)CC(O)CS(=O)(=O)O
inchi:
InChI=1/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)


name: N-[3-(tetradecyloxy)propyl]propane-1,3-diamine acetate
cas: 68189-45-7
formula: C20H44N2O.xC2H4O2
inchikey: QIVCZDWOQMMPPU-UHFFFAOYSA-N
norman_susdat_id: NS00092132
smiles: CCCCCCCCCCCCCCOCCCNCCCN.CC(=O)O
inchi:
InChI=1/C20H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21;1-2(3)4/h22H,2-21H2,1H3;1H3,(H,3,4)


name: Propionic acid, compound with N-[3-(tetradecyloxy)propyl]propane-1,3-diamine
cas: 68189-46-8
dtxsid: DTXSID2071231
formula: C20H44N2O
inchikey: PWVXSCFHRAKKIF-UHFFFAOYSA-N
norman_susdat_id: NS00063402
pubchem_cid: 109722
smiles: O=C(O)CC.O(CCCNCCCN)CCCCCCCCCCCCCC
inchi:
InChI=1/C20H44N2O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21;1-2-3(4)5/h22H,2-21H2,1H3;2H2,1H3,(H,4,5)


name: Hexaammonium platinum(2+) tetrasulphite
cas: 68191-11-7
formula: H3N.2/3H2O3S.1/6Pt
inchi: InChI=1/6H3N.4H2O3S.Pt/c;;;;;;4*1-4(2)3;/h6*1H3;4*(H2,1,2,3);/q;;;;;;;;;;+2/p-2
inchikey: RBIRKHLJEHBWQM-UHFFFAOYSA-L
norman_susdat_id: NS00092133
smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Pt+2].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-]


name: Fluorotripropylstannane
cas: 682-32-6
dtxsid: DTXSID30218373
formula: C9H21FSn
inchikey: CWUPWQLKYNCKBJ-UHFFFAOYSA-M
norman_susdat_id: NS00042855
pubchem_cid: NA
smiles: F[Sn](CCC)(CCC)CCC
inchi:
InChI=1/3C3H7.FH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1/rC9H21FSn/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3


name: TRILAURYL PHOSPHATE
cas: 682-49-5
chemspiderid: 62833
formula: C36H75O4P1
inchikey: OHRVKCZTBPSUIK-UHFFFAOYSA-N
norman_susdat_id: NS00014179
pubchem_cid: 69630
smiles: CCCCCCCCCCCCO[P](=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC
inchi:
InChI=1S/C36H75O4P/c1-4-7-10-13-16-19-22-25-28-31-34-38-41(37,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


cas: 6820-54-8
dtxsid: DTXSID9025871
formula: C26H22O10
inchikey: GBLJULUMBNYFAK-BYRFHZBMSA-M
norman_susdat_id: NS00045602
pubchem_cid: 258536
smiles: [Na+].O=C([O-])C1OC(OC2=CC=C(C=C2)C3(OC(=O)C=4C=CC=CC43)C5=CC=C(O)C=C5)C(O)C(O)C1O
name:
ß-d-Glucopyranosiduronic acid, 4-[1,3-dihydro-1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl, monosodium salt

inchi:
InChI=1/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1


name: Octadecanoic acid, branched and linear
cas: 68201-37-6
chemspiderid: 98203
dtxsid: DTXSID0029424
formula: C18H36O2
inchikey: DYGIZCLLGGJWQJ-UHFFFAOYSA-N
norman_susdat_id: NS00003688
pubchem_cid: 109214
smiles: CCCCC(CC)CCCCCC(C)CCCC(O)=O
inchi:
InChI=1S/C18H36O2/c1-4-6-13-17(5-2)14-9-7-8-11-16(3)12-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)


name: Disodium 3-[(4-amino-1-naphthyl)azo]naphthalene-1,5-disulphonate
cas: 68201-75-2
dtxsid: DTXSID7071232
formula: C20H15N3O6S2
inchikey: DEGUEHYEGPBHMG-UHFFFAOYSA-L
norman_susdat_id: NS00063154
pubchem_cid: 109729
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC3=CC=C(N)C=4C=CC=CC34)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C20H15N3O6S2.2Na/c21-17-8-9-18(14-5-2-1-4-13(14)17)23-22-12-10-16-15(20(11-12)31(27,28)29)6-3-7-19(16)30(24,25)26;;/h1-11H,21H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Sodium 3-[[4-acetamidophenyl]azo]-7-amino-4-hydroxynaphthalene-2-sulphonate
cas: 68201-76-3
dtxsid: DTXSID2071233
formula: C18H16N4O5S
inchikey: WOXMKPXZTRBQBG-UHFFFAOYSA-M
norman_susdat_id: NS00062913
pubchem_cid: 109732
smiles: [Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=CC(N)=CC3=CC2S(=O)(=O)[O-])C=C1)C
inchi:
InChI=1/C18H16N4O5S.Na/c1-10(23)20-13-3-5-14(6-4-13)21-22-17-16(28(25,26)27)9-11-8-12(19)2-7-15(11)18(17)24;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1


name: Phenol, 4-[[4-[(3-nitrophenyl)azo]phenyl]azo]-
cas: 68201-77-4
chemspiderid: 4588678
dtxsid: DTXSID7071234
formula: C18H13N5O3
inchikey: HFFLNPOQMNVCOC-UHFFFAOYSA-N
norman_susdat_id: NS00036476
pubchem_cid: NA
smiles: [O-][N+](=O)c1cccc(c1)N=Nc1ccc(NN=C2C=CC(=O)C=C2)cc1
inchi:
InChI=1S/C18H13N5O3/c24-18-10-8-15(9-11-18)20-19-13-4-6-14(7-5-13)21-22-16-2-1-3-17(12-16)23(25)26/h1-12,19H/b22-21-


name: Sodium 3-[(5-amino-1H-benzimidazol-2-yl)thio]propanesulphonate
cas: 68201-78-5
dtxsid: DTXSID2071235
formula: C10H13N3O3S2
inchikey: JZUPSTYRXULFSZ-UHFFFAOYSA-M
norman_susdat_id: NS00062934
pubchem_cid: 109735
smiles: [Na+].O=S(=O)([O-])CCCSC1=NC=2C=C(N)C=CC2N1
inchi:
InChI=1/C10H13N3O3S2.Na/c11-7-2-3-8-9(6-7)13-10(12-8)17-4-1-5-18(14,15)16;/h2-3,6H,1,4-5,11H2,(H,12,13)(H,14,15,16);/q;+1/p-1


name: Citric acid, ammonium iron(3+) manganese(2+) zinc salt
cas: 68201-80-9
formula: C6H8O7.xFe.xH3N.xMn.xZn
inchikey: SOJKIZJSYFYEQX-UHFFFAOYSA-N
norman_susdat_id: NS00091517
smiles: [Fe].[Mn].N.[Zn].O=C(O)CC(O)(CC(=O)O)C(O)=O
inchi:
InChI=1/C6H8O7.Fe.Mn.H3N.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;1H3;/q;2*+2;;+2


name: (1,4-dihydro-1-naphthyl)sodium, compound with tetrahydrofuran (1:1)
cas: 68201-83-2
formula: C10H9Na.C4H8O
inchikey: RZSGTNVSFKOWOY-UHFFFAOYSA-N
norman_susdat_id: NS00091389
smiles: [Na]C1C=CCc2ccccc12.C3CCOC3
inchi:
InChI=1/C10H9.C4H8O.Na/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;/h1-7H,8H2;1-4H2;/rC10H9Na.C4H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1/h1-4,6-7,10H,5H2;1-4H2


name: 9-sulpho-9-octadecenoic acid
cas: 68201-85-4
dtxsid: DTXSID7071236
formula: C18H34O5S
inchikey: JEXDTYLVDKNUPY-UHFFFAOYSA-N
norman_susdat_id: NS00062935
pubchem_cid: NA
smiles: O=C(O)CCCCCCCC(=CCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C18H34O5S/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20/h14H,2-13,15-16H2,1H3,(H,19,20)(H,21,22,23)


cas: 68201-95-6
dtxsid: DTXSID70889945
formula: C29H28N10O9S2
inchikey: CQCHRFWUILKHHB-UHFFFAOYSA-L
norman_susdat_id: NS00064440
pubchem_cid: 176313
name:
Disodium 7-[[4,6-bis[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C29H28N10O9S2.2Na/c40-13-11-30-27-33-28(31-12-14-41)35-29(34-27)32-21-7-10-23-17(15-21)16-24(50(46,47)48)25(26(23)42)39-38-19-3-1-18(2-4-19)36-37-20-5-8-22(9-6-20)49(43,44)45;;/h1-10,15-16,40-42H,11-14H2,(H,43,44,45)(H,46,47,48)(H3,30,31,32,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC=5N=C(N=C(N5)NCCO)NCCO)C=C2)C=C1


name: Cloricromen
cas: 68206-94-0
chebiid: CHEBI:135628
chemspiderid: 62108
dtxsid: DTXSID2048373
formula: C20H26Cl1N1O5
inchikey: GYNNRVJJLAVVTQ-UHFFFAOYSA-N
norman_susdat_id: NS00022678
pubchem_cid: 68876
smiles: CCOC(=O)COC1=C(Cl)C2=C(C=C1)C(C)=C(CCN(CC)CC)C(=O)O2
inchi:
InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3


name: Dibutylbis[(dibutylthiocarbamoyl)thio]stannane
cas: 6821-94-9
dtxsid: DTXSID20218382
formula: C26H54N2S4Sn
inchikey: MZALSSKSVYPDCR-UHFFFAOYSA-L
norman_susdat_id: NS00045137
pubchem_cid: NA
smiles: S=C(S[Sn](SC(=S)N(CCCC)CCCC)(CCCC)CCCC)N(CCCC)CCCC
inchi:
InChI=1/2C9H19NS2.2C4H9.Sn/c2*1-3-5-7-10(9(11)12)8-6-4-2;2*1-3-4-2;/h2*3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H54N2S4Sn/c1-7-13-19-27(20-14-8-2)25(29)31-33(23-17-11-5,24-18-12-6)32-26(30)28(21-15-9-3)22-16-10-4/h7-24H2,1-6H3


name: Octanoic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)
cas: 68213-73-0
formula: C8H16O2.C6H15NO2
inchikey: HRAMXSXNNWDJAM-UHFFFAOYSA-N
norman_susdat_id: NS00091390
smiles: CCCCCCCC(=O)O.CC(O)CNCC(C)O
inchi:
InChI=1/C8H16O2.C6H15NO2/c1-2-3-4-5-6-7-8(9)10;1-5(8)3-7-4-6(2)9/h2-7H2,1H3,(H,9,10);5-9H,3-4H2,1-2H3


name: Dipentyl hydrogen phosphate, compound with morpholine (1:1)
cas: 68213-75-2
formula: C10H23O4P.C4H9NO
inchikey: RWYDFXPCXJMPJY-UHFFFAOYSA-N
norman_susdat_id: NS00091648
smiles: CCCCCOP(=O)(O)OCCCCC.C1COCCN1
inchi:
InChI=1/C10H23O4P.C4H9NO/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2;1-3-6-4-2-5-1/h3-10H2,1-2H3,(H,11,12);5H,1-4H2


name: Citric acid, ammonium magnesium salt
cas: 68213-76-3
formula: C6H8O7.xH3N.xMg
inchikey: IFEOTSHSEOEPSF-UHFFFAOYSA-L
norman_susdat_id: NS00091391
smiles: [NH4+].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Mg.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;/p-2


name: Phenol, compound with 1,1',1''-nitrilotris[propan-2-ol] (1:1)
cas: 68213-79-6
formula: C9H21NO3.C6H6O
inchikey: ZMXIHDNKGZUANT-UHFFFAOYSA-N
norman_susdat_id: NS00091649
smiles: CC(O)CN(CC(C)O)CC(C)O.Oc1ccccc1
inchi:
InChI=1/C9H21NO3.C6H6O/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5,7H


name: Ammonium potassium 7-aminonaphthalene-1,3-disulphonate
cas: 68213-88-7
formula: C10H9NO6S2.H3N.K
inchikey: TZVTVNXYTRWACD-UHFFFAOYSA-M
norman_susdat_id: NS00091520
smiles: [NH4+].[K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.K.H3N/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;1H3/q;+1;/p-1


name: Sodium 4-hydroxy-7-(phenylamino)naphthalene-2-sulphonate
cas: 68213-89-8
formula: C16H13NO4S.Na
inchikey: IFDKBIXAJJBAQT-UHFFFAOYSA-M
norman_susdat_id: NS00091393
smiles: [Na+].Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C16H13NO4S.Na/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12;/h1-10,17-18H,(H,19,20,21);/q;+1/p-1


name: Benzenesulfonic acid, 3-chloro-4-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-
cas: 68213-90-1
chemspiderid: 98618
dtxsid: DTXSID1071244
formula: C21H20Cl1N3O3S1
inchikey: WMSKOATWQHRPJI-UHFFFAOYSA-N
norman_susdat_id: NS00036477
pubchem_cid: 109748
smiles: CCN(Cc1ccccc1)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C21H20ClN3O3S/c1-2-25(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)23-24-21-13-12-19(14-20(21)22)29(26,27)28/h3-14H,2,15H2,1H3,(H,26,27,28)/b24-23-


name: Ethyl 4,5-dihydro-4-[(2-nitrophenyl)azo]-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
cas: 68213-91-2
dtxsid: DTXSID40887276
formula: C18H16N5O5
inchikey: WJILYNHHWNITTM-UHFFFAOYSA-N
norman_susdat_id: NS00062937
pubchem_cid: 20844413
smiles: O=C(OCC)C1=NN(C(=O)C1N=NC=2C=CC=CC2[N+](=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C18H15N5O5/c1-2-28-18(25)16-15(17(24)22(21-16)12-8-4-3-5-9-12)20-19-13-10-6-7-11-14(13)23(26)27/h3-11,15H,2H2,1H3


name: Acetamide, N,N'-(9,10-dihydro-4,5-dinitro-9,10-dioxo-1,8-anthracenediyl)bis-
cas: 68213-93-4
chemspiderid: 4588679
dtxsid: DTXSID1071246
formula: C18H12N4O8
inchikey: QZNQEOQENXBFPL-UHFFFAOYSA-N
norman_susdat_id: NS00036478
pubchem_cid: 5485377
smiles: CC(=O)Nc1ccc(c2c1C(=O)c1c(NC(=O)C)ccc(c1C2=O)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H12N4O8/c1-7(23)19-9-3-5-11(21(27)28)15-13(9)17(25)14-10(20-8(2)24)4-6-12(22(29)30)16(14)18(15)26/h3-6H,1-2H3,(H,19,23)(H,20,24)


name: 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy-
cas: 68213-94-5
chemspiderid: 98619
dtxsid: DTXSID6071247
formula: C20H12Br2N2O4
inchikey: BSAIZSQXJWMWFM-UHFFFAOYSA-N
norman_susdat_id: NS00036479
pubchem_cid: 109753
smiles: Nc1ccc(O)c2c1C(=O)c1c(Nc3ccc(Br)cc3Br)ccc(O)c1C2=O
inchi:
InChI=1S/C20H12Br2N2O4/c21-8-1-3-11(9(22)7-8)24-12-4-6-14(26)18-16(12)19(27)15-10(23)2-5-13(25)17(15)20(18)28/h1-7,24-26H,23H2


name: Benzyltrioctadecylammonium chloride
cas: 68213-97-8
dtxsid: DTXSID00887277
formula: C61H118N
inchikey: GEIOGQZUWHHRLM-UHFFFAOYSA-M
norman_susdat_id: NS00064475
pubchem_cid: 176320
smiles: [Cl-].C=1C=CC(=CC1)C[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C61H118N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57-62(60-61-55-50-49-51-56-61,58-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h49-51,55-56H,4-48,52-54,57-60H2,1-3H3;1H/q+1;/p-1


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate
cas: 68213-99-0
formula: C14H8O8S2.2Na
inchikey: WBSILKUGGXQRHN-UHFFFAOYSA-L
norman_susdat_id: NS00091532
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cccc(c3C(=O)c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-8-5-4-7(23(17,18)19)6-10(8)14(16)12-9(13)2-1-3-11(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: 4-Hydroxy-7-[(3-nitrobenzoyl)amino]-2-naphthalenesulfonic acid
cas: 68214-00-6
chemspiderid: 98622
dtxsid: DTXSID0071251
formula: C17H12N2O7S1
inchikey: KHRQOWDLOIPDEV-UHFFFAOYSA-N
norman_susdat_id: NS00036480
pubchem_cid: 109758
smiles: Oc1cc(cc2c1ccc(NC(=O)c1cc(ccc1)[N+](=O)[O-])c2)S(=O)(=O)O
inchi:
InChI=1S/C17H12N2O7S/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)


name: Sodium m-[(p-aminophenyl)azo]benzenesulphonate
cas: 68214-01-7
formula: C12H11N3O3S.Na
inchikey: LOMIKALXICPUQX-UHFFFAOYSA-M
norman_susdat_id: NS00091403
smiles: [Na+].[O-]S(=O)(=O)c2cccc(N=Nc1ccc(N)cc1)c2
inchi:
InChI=1/C12H11N3O3S.Na/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1


name: Disodium 8-[(4-amino-2,5-dimethoxyphenyl)azo]-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 68214-02-8
dtxsid: DTXSID30889946
formula: C24H21N5O8S2
inchikey: AFBIPPFHGMHBSS-UHFFFAOYSA-L
norman_susdat_id: NS00064476
pubchem_cid: 109760
inchi:
InChI=1/C24H21N5O8S2.2Na/c1-36-23-13-22(24(37-2)12-19(23)25)29-28-21-9-8-20(17-7-6-16(11-18(17)21)39(33,34)35)27-26-14-4-3-5-15(10-14)38(30,31)32;;/h3-13H,25H2,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC=3C=C(OC)C(N)=CC3OC)C=4C=C(C=CC24)S(=O)(=O)[O-])C1


cas: 68214-03-9
dtxsid: DTXSID90889947
formula: C41H32N8O13S3
inchikey: YYZNZWHYMPSAOU-UHFFFAOYSA-K
norman_susdat_id: NS00064477
pubchem_cid: NA
name:
Trisodium 7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]phenyl]azo]-3-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C41H32N8O13S3.3Na/c1-61-37-20-35(48-49-40-29-12-10-24(43-41(51)22-6-8-23(42)9-7-22)17-31(29)39(21-36(40)50)65(58,59)60)38(62-2)19-34(37)47-46-33-15-14-32(28-13-11-27(18-30(28)33)64(55,56)57)45-44-25-4-3-5-26(16-25)63(52,53)54;;;/h3-21,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C2C(N=NC3=CC(OC)=C(N=NC4=CC=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C=6C=CC(=CC46)S(=O)(=O)[O-])C=C3OC)=C(O)C=C(C2=C1)S(=O)(=O)[O-])C7=CC=C(N)C=C7


cas: 68214-04-0
formula: C44H30Cl2N14O20S6.6Na
inchikey: JCHWMQZZTLGTJZ-UHFFFAOYSA-H
norman_susdat_id: NS00092186
name:
Hexasodium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]

inchi:
InChI=1/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c9ccccc9N=Nc1c(O)c8c(cc1S([O-])(=O)=O)cc(cc8Nc2nc(nc(Cl)n2)Nc3ccc(cc3)Nc7nc(Nc5cc(cc6cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n7)S([O-])(=O)=O


name: Hexadecyltrimethylammonium hydrogen sulphate
cas: 68214-07-3
formula: C19H42N.HO4S
inchikey: UCRJJNVFJGKYQT-UHFFFAOYSA-L
norman_susdat_id: NS00092187
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


cas: 68214-23-3
dtxsid: DTXSID90880595
norman_susdat_id: NS00111964
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1-difluoroethene and 1,2,3,3,3-pentafluoro-1-propene


cas: 68214-24-4
formula: C48H96N2O8
norman_susdat_id: NS00101769
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.'',.alpha.'''-[(1,36-dioxo-1,36-hexacosanediyl)bis(oxy-2,1-ethanediylnitrilodi-2,1-ethanediyl)]tetrakis[.omega.-hydroxy-


name: Benzyltriphenylphosphonium tetrachlorocadmate
cas: 68214-25-5
formula: C25H22P.1/2CdCl4
inchikey: MDNRZBQCAXHOEE-UHFFFAOYSA-J
norman_susdat_id: NS00091414
inchi:
InChI=1/2C25H22P.Cd.4ClH/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;;/h2*1-20H,21H2;;4*1H/q2*+1;+2;;;;/p-4/r2C25H22P.CdCl4/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)5/h2*1-20H,21H2;/q2*+1;-2

smiles:
Cl[Cd-2](Cl)(Cl)Cl.C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4.C(c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8


name: 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo-
cas: 68214-42-6
chemspiderid: 88838
dtxsid: DTXSID0071255
formula: C14H10Br2N4O2
inchikey: UPFBCANRFNSDKE-UHFFFAOYSA-N
norman_susdat_id: NS00036481
pubchem_cid: 109768
smiles: Nc1c2C(=O)c3c(N)c(Br)c(Br)c(N)c3C(=O)c2c(N)cc1
inchi:
InChI=1S/C14H10Br2N4O2/c15-9-10(16)12(20)8-7(11(9)19)13(21)5-3(17)1-2-4(18)6(5)14(8)22/h1-2H,17-20H2


cas: 68214-48-2
dtxsid: DTXSID90887281
formula: C31H62N6O4
inchikey: VFFMBHXEAASUMC-UHFFFAOYSA-N
norman_susdat_id: NS00064484
pubchem_cid: 109770
smiles: O=C(O)C.O=C(N)CCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCN(CCC(=O)N)CCC(=O)N
name:
N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]stearamide monoacetate

inchi:
InChI=1/C31H62N6O4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(41)35-21-25-37(24-20-30(34)40)27-26-36(22-18-28(32)38)23-19-29(33)39;1-2(3)4/h2-27H2,1H3,(H2,32,38)(H2,33,39)(H2,34,40)(H,35,41);1H3,(H,3,4)


cas: 68214-50-6
dtxsid: DTXSID50887282
formula: C46H91N5O4
inchikey: OVXAKYQEBSPMPU-UHFFFAOYSA-N
norman_susdat_id: NS00062978
pubchem_cid: 109772
smiles: O=C(O)C.O=C(N)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)N
name:
N-(3-amino-3-oxopropyl)-N-[2-[(3-amino-3-oxopropyl)[2-(stearoylamino)ethyl]amino]ethyl]stearamide monoacetate

inchi:
InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-50(38-35-43(47)52)41-42-51(39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)


name: N-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate
cas: 68214-52-8
dtxsid: DTXSID5071256
formula: C46H91N5O4
inchikey: BEGABRDNXCRDEU-UHFFFAOYSA-N
norman_susdat_id: NS00063181
pubchem_cid: 109774
smiles: O=C(O)C.O=C(N)CCN(CCC(=O)N)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H91N5O4.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)49-37-40-51(42-41-50(38-35-43(47)52)39-36-44(48)53)46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-42H2,1-2H3,(H2,47,52)(H2,48,53)(H,49,54);1H3,(H,3,4)


name: N-[2-[(3-amino-3-oxopropyl)stearoylamino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate
cas: 68214-54-0
dtxsid: DTXSID0071257
formula: C61H120N4O4
inchikey: QZTKVNZEYYUVGL-UHFFFAOYSA-N
norman_susdat_id: NS00063442
pubchem_cid: 176325
smiles: O=C(O)C.O=C(N)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C61H120N4O4.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-59(67)63-53-55-65(61(69)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)57-56-64(54-52-58(62)66)60(68)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-2(3)4/h4-57H2,1-3H3,(H2,62,66)(H,63,67);1H3,(H,3,4)


name: Sodium 3-[[4-[(4-ethoxy-m-tolyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 68214-55-1
dtxsid: DTXSID10887283
formula: C25H22N4O4S
inchikey: GMVKTLZQJXEXTO-UHFFFAOYSA-M
norman_susdat_id: NS00064485
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCC)C(=C3)C)C=4C=CC=CC24)C1
inchi:
InChI=1/C25H22N4O4S.Na/c1-3-33-25-14-11-19(15-17(25)2)27-29-24-13-12-23(21-9-4-5-10-22(21)24)28-26-18-7-6-8-20(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1


cas: 68214-56-2
dtxsid: DTXSID10889949
formula: C25H23N3O9S3
inchikey: PAADLUNUXAUQFN-UHFFFAOYSA-L
norman_susdat_id: NS00063182
pubchem_cid: 176328
name:
Disodium 8-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C25H23N3O9S3.2Na/c1-3-28(19-7-5-4-6-8-19)38(30,31)22-14-18(11-9-16(22)2)26-27-25-21(29)12-10-17-13-20(39(32,33)34)15-23(24(17)25)40(35,36)37;;/h4-15,29H,3H2,1-2H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C(=C3)S(=O)(=O)N(C=4C=CC=CC4)CC)C)=C2C(=C1)S(=O)(=O)[O-]


name: 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium malate
cas: 68214-59-5
formula: C17H15N4O2.C4H5O5
inchikey: SRVTVXCADDRHGS-UHFFFAOYSA-N
norman_susdat_id: NS00091533
smiles: O=C3[NH2+]C(\O)=C(\N=Nc1ccccc1)C(\C)=C3\[n+]2ccccc2.[O-]C(=O)CC(O)C([O-])=O
inchi:
InChI=1/C17H14N4O2.C4H6O5/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;5-2(4(8)9)1-3(6)7/h2-11H,1H3,(H-,18,19,22,23);2,5H,1H2,(H,6,7)(H,8,9)


name: 5'-[(2,5-dichlorophenyl)azo]-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium malate
cas: 68214-61-9
dtxsid: DTXSID30887285
formula: C17H13Cl2N4O2
inchikey: AADDTEHKDBQTDE-UHFFFAOYSA-N
norman_susdat_id: NS00063183
pubchem_cid: NA
smiles: O=C([O-])CC(O)C(=O)[O-].O=C1C(=C(C(N=NC2=CC(Cl)=CC=C2Cl)=C(O)[NH2+]1)C)[N+]=3C=CC=CC3
inchi:
InChI=1/C17H12Cl2N4O2.C4H6O5/c1-10-14(22-21-13-9-11(18)5-6-12(13)19)16(24)20-17(25)15(10)23-7-3-2-4-8-23;5-2(4(8)9)1-3(6)7/h2-9H,1H3,(H-,20,21,24,25);2,5H,1H2,(H,6,7)(H,8,9)


name: Sodium 2-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]-5-ethoxybenzenesulphonate
cas: 68214-62-0
dtxsid: DTXSID90887286
formula: C28H28N2O6S
inchikey: CXWFCOOJXJFGKX-UHFFFAOYSA-M
norman_susdat_id: NS00063200
pubchem_cid: 21118561
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(OCC)C=C4S(=O)(=O)[O-])C13)NC5CCCCC5
inchi:
InChI=1/C28H28N2O6S.Na/c1-2-36-18-12-13-21(24(16-18)37(33,34)35)30-23-15-14-22(29-17-8-4-3-5-9-17)25-26(23)28(32)20-11-7-6-10-19(20)27(25)31;/h6-7,10-17,29-30H,2-5,8-9H2,1H3,(H,33,34,35);/q;+1/p-1


cas: 68214-63-1
chemspiderid: 7850920
dtxsid: DTXSID5071258
formula: C19H13Cl2N5O2
inchikey: HKZDIAUAQOHCQE-UHFFFAOYSA-N
norman_susdat_id: NS00036482
pubchem_cid: NA
smiles: CC1=C(C#N)C(=O)N(Nc2ccccc2)C(=O)/C/1=N/Nc1cc(Cl)c(Cl)cc1
name:
3-Pyridinecarbonitrile, 5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)-

inchi:
InChI=1S/C19H13Cl2N5O2/c1-11-14(10-22)18(27)26(25-12-5-3-2-4-6-12)19(28)17(11)24-23-13-7-8-15(20)16(21)9-13/h2-9,23,25H,1H3/b24-17+


cas: 68214-64-2
chemspiderid: 7850921
dtxsid: DTXSID0071259
formula: C19H14Cl1N5O2
inchikey: VUUPJZOMEVYEJV-UHFFFAOYSA-N
norman_susdat_id: NS00036483
pubchem_cid: NA
smiles: CC1=C(C#N)C(=O)N(Nc2ccccc2)C(=O)/C/1=N/Nc1cc(Cl)ccc1
name:
3-Pyridinecarbonitrile, 5-[(3-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)-

inchi:
InChI=1S/C19H14ClN5O2/c1-12-16(11-21)18(26)25(24-14-7-3-2-4-8-14)19(27)17(12)23-22-15-9-5-6-13(20)10-15/h2-10,22,24H,1H3/b23-17+


name: Propanamide, 3-chloro-N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 68214-65-3
chemspiderid: 90837
dtxsid: DTXSID9071260
formula: C20H21Cl1N6O3
inchikey: DZCVQWOJMDITIP-UHFFFAOYSA-N
norman_susdat_id: NS00022679
pubchem_cid: 109781
smiles: CCN(CC)c1cc(NC(=O)CCCl)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C20H21ClN6O3/c1-3-26(4-2)15-5-8-18(19(12-15)23-20(28)9-10-21)25-24-17-7-6-16(27(29)30)11-14(17)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,28)


name: Carbamic acid, [2-[(2-chloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-, 2-ethoxyethyl ester
cas: 68214-66-4
chemspiderid: 90838
dtxsid: DTXSID4071261
formula: C21H26Cl1N5O5
inchikey: BASKGNLLUQTLND-UHFFFAOYSA-N
norman_susdat_id: NS00036484
pubchem_cid: 109782
smiles: CCOCCOC(=O)Nc1c(ccc(c1)N(CC)CC)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C21H26ClN5O5/c1-4-26(5-2)15-7-10-19(20(14-15)23-21(28)32-12-11-31-6-3)25-24-18-9-8-16(27(29)30)13-17(18)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,28)/b25-24-


name: 3,6,9,12,15,18,21,24,27-Nonaoxanonacosan-1-ol, 29-(2,4-dipentylphenoxy)-
cas: 68214-68-6
chemspiderid: 90839
dtxsid: DTXSID9071262
formula: C36H66O11
inchikey: IUGUYAKPEVLCSE-UHFFFAOYSA-N
norman_susdat_id: NS00036485
pubchem_cid: 109785
smiles: CCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)c(CCCCC)c1
inchi:
InChI=1S/C36H66O11/c1-3-5-7-9-34-11-12-36(35(33-34)10-8-6-4-2)47-32-31-46-30-29-45-28-27-44-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37/h11-12,33,37H,3-10,13-32H2,1-2H3


cas: 68214-71-1
formula: C12H19N9.H2O4S
inchikey: PCUWPWSJMYKTTP-UHFFFAOYSA-N
norman_susdat_id: NS00091677
smiles: OS(=O)(=O)O.N=C(NC(=N)N1CCN2CCN=C12)N3CCN4CCN=C34
name:
2,3,5,6-tetrahydro-N-[imino(2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-1-yl)methyl]-1H-imidazo[1,2-a]imidazole-1-carboxamidine monosulphate

inchi:
InChI=1/C12H19N9.H2O4S/c13-9(20-7-5-18-3-1-15-11(18)20)17-10(14)21-8-6-19-4-2-16-12(19)21;1-5(2,3)4/h1-8H2,(H3,13,14,17);(H2,1,2,3,4)


name: Benzoic acid, 2-[[(5-amino-2-methylphenyl)sulfonyl]amino]-
cas: 68214-75-5
chemspiderid: 98649
dtxsid: DTXSID4071267
formula: C14H14N2O4S1
inchikey: XWVZYCCHMHNKOM-UHFFFAOYSA-N
norman_susdat_id: NS00036489
pubchem_cid: 109791
smiles: Cc1ccc(N)cc1S(=O)(=O)Nc1c(cccc1)C(=O)O
inchi:
InChI=1S/C14H14N2O4S/c1-9-6-7-10(15)8-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)


name: Oleic acid, compound with 3-methoxypropylamine (1:1)
cas: 68214-77-7
formula: C18H34O2.C4H11NO
inchikey: AQTCOVFJPUEXIG-KVVVOXFISA-N
norman_susdat_id: NS00091415
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.COCCCN
inchi:
InChI=1/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-4-2-3-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3


name: Acetamide, N-[2-[(2-cyano-6-iodo-4-nitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-
cas: 68214-78-8
chemspiderid: 98650
dtxsid: DTXSID4071269
formula: C20H21I1N6O4
inchikey: IZORMMLJZNGANB-UHFFFAOYSA-N
norman_susdat_id: NS00036490
pubchem_cid: 109792
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(I)cc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C20H21IN6O4/c1-5-26(6-2)18-9-16(23-12(3)28)17(10-19(18)31-4)24-25-20-13(11-22)7-14(27(29)30)8-15(20)21/h7-10H,5-6H2,1-4H3,(H,23,28)/b25-24+


name: Propanenitrile, 3-[[4-[(2-bromo-6-methyl-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
cas: 68214-79-9
chemspiderid: 98651
dtxsid: DTXSID3071270
formula: C19H20Br1N5O3
inchikey: JJHPULOTTFXKFG-UHFFFAOYSA-N
norman_susdat_id: NS00036491
pubchem_cid: 109793
smiles: Cc1cc(cc(Br)c1N=Nc1c(C)cc(cc1)N(CCO)CCC#N)[N+](=O)[O-]
inchi:
InChI=1S/C19H20BrN5O3/c1-13-10-15(24(8-9-26)7-3-6-21)4-5-18(13)22-23-19-14(2)11-16(25(27)28)12-17(19)20/h4-5,10-12,26H,3,7-9H2,1-2H3/b23-22+


name: N-[2-[ethyl(3-methyl-4-nitrosophenyl)amino]ethyl]methanesulphonamide monohydrochloride
cas: 68214-80-2
formula: C12H19N3O3S.ClH
inchikey: DHUWUDCIIGPHFN-UHFFFAOYSA-N
norman_susdat_id: NS00091559
smiles: Cl.CCN(CCNS(=O)(=O)C)c1ccc(N=O)c(C)c1
inchi:
InChI=1/C12H19N3O3S.ClH/c1-4-15(8-7-13-19(3,17)18)11-5-6-12(14-16)10(2)9-11;/h5-6,9,13H,4,7-8H2,1-3H3;1H


cas: 68214-82-4
formula: C32H24N6O11S3.2Na
inchikey: KMGRDXNWDOWNGW-UHFFFAOYSA-L
norman_susdat_id: NS00090050
name:
Disodium hydrogen 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C32H24N6O11S3.2Na.H2/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].[O-]S(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)c3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O


cas: 68220-31-5
dtxsid: DTXSID10218396
formula: C43H53N2O4S2
inchikey: LJGUUQQEDUELFT-UHFFFAOYSA-M
norman_susdat_id: NS00059999
pubchem_cid: NA
name:
Benzothiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethyl-5,6-dimethoxy-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-5,6-dimethoxy-, perchlorate

inchi:
InChI=1/C43H53N2O4S2.ClHO4/c1-11-44-32-20-34(46-7)36(48-9)22-38(32)50-40(44)18-30-16-28(24-42(3,4)26-30)14-13-15-29-17-31(27-43(5,6)25-29)19-41-45(12-2)33-21-35(47-8)37(49-10)23-39(33)51-41;2-1(3,4)5/h13-23H,11-12,24-27H2,1-10H3;(H,2,3,4,5)/q+1;/p-1

smiles:
O=Cl(=O)(=O)[O-].O(C=1C=C2SC(=CC3=CC(=CC=CC4=CC(=CC=5SC=6C=C(OC)C(OC)=CC6[N+]5CC)CC(C)(C)C4)CC(C)(C)C3)N(C2=CC1OC)CC)C


name: Tetralithium 4,4'-carbonylbisphthalate
cas: 68226-87-9
formula: C17H10O9.4Li
inchikey: SFTBFOWLRGIKIF-UHFFFAOYSA-J
norman_susdat_id: NS00090051
smiles: [Li+].[Li+].[Li+].[Li+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.4Li/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4


name: Trirubidium hydrogen 4,4'-carbonylbisphthalate
cas: 68226-89-1
formula: C17H10O9.3Rb
inchikey: GWFJJCURDICBCX-UHFFFAOYSA-J
norman_susdat_id: NS00090052
smiles: [Rb+].[Rb+].[Rb+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.3Rb/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4


name: Tripotassium hydrogen 4,4'-carbonylbisphthalate
cas: 68226-90-4
formula: C17H10O9.3K
inchikey: COHGWCHNMXQLHV-UHFFFAOYSA-J
norman_susdat_id: NS00090053
smiles: [K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.3K/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4


name: Trisodium hydrogen 4,4'-carbonylbisphthalate
cas: 68226-91-5
formula: C17H10O9.3Na
inchikey: UBLAECHSLZLTKW-UHFFFAOYSA-J
norman_susdat_id: NS00090054
smiles: [Na+].[Na+].[Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.3Na/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-4


name: Dirubidium 4,4'-methylenebis[3-hydroxy-2-naphthoate]
cas: 68226-94-8
formula: C23H16O6.2Rb
inchikey: ZEVADHLYTIQGRA-UHFFFAOYSA-L
norman_susdat_id: NS00090096
smiles: [Rb+].[Rb+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-]
inchi:
InChI=1/C23H16O6.2Rb/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2


name: Dipotassium 4,4'-methylenebis[3-hydroxy-2-naphthoate]
cas: 68226-95-9
formula: C23H16O6.2K
inchikey: TXJHTNYUHQATPI-UHFFFAOYSA-L
norman_susdat_id: NS00090097
smiles: [K+].[K+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-]
inchi:
InChI=1/C23H16O6.2K/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2


name: Octyl dihydrogen phosphate, compound with 1-aminopropan-2-ol
cas: 68227-24-7
formula: C8H19O4P.xC3H9NO
inchikey: MSXQATXPWBOUPH-UHFFFAOYSA-N
norman_susdat_id: NS00090056
smiles: CCCCCCCCOP(=O)(O)O.CC(O)CN
inchi:
InChI=1/C8H19O4P.C3H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3(5)2-4/h2-8H2,1H3,(H2,9,10,11);3,5H,2,4H2,1H3


name: Oleic acid, compound with 1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol
cas: 68227-25-8
formula: C18H34O2.xC9H21N3O3
inchikey: XUKNNEQNKFYXCS-KVVVOXFISA-N
norman_susdat_id: NS00090098
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCN1CN(CCO)CN(CCO)C1
inchi:
InChI=1/C18H34O2.C9H21N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h9-10H,2-8,11-17H2,1H3,(H,19,20);13-15H,1-9H2


name: 9,10-Anthracenedione, 1,4,5-triamino-8-(methylamino)-
cas: 68227-27-0
chemspiderid: 98665
dtxsid: DTXSID8071279
formula: C15H14N4O2
inchikey: RUAYBNOWTIGMLH-UHFFFAOYSA-N
norman_susdat_id: NS00036492
pubchem_cid: 109808
smiles: CNc1ccc(N)c2c1C(=O)c1c(c(N)ccc1N)C2=O
inchi:
InChI=1S/C15H14N4O2/c1-19-9-5-4-8(18)12-13(9)15(21)11-7(17)3-2-6(16)10(11)14(12)20/h2-5,19H,16-18H2,1H3


name: 9,10-Anthracenedione, 1-(butylamino)-4-(methylamino)-
cas: 68227-28-1
chemspiderid: 98666
dtxsid: DTXSID7071280
formula: C19H20N2O2
inchikey: KWKQLGSQUUYRDV-UHFFFAOYSA-N
norman_susdat_id: NS00036493
pubchem_cid: 109809
smiles: CCCCNc1ccc(NC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H20N2O2/c1-3-4-11-21-15-10-9-14(20-2)16-17(15)19(23)13-8-6-5-7-12(13)18(16)22/h5-10,20-21H,3-4,11H2,1-2H3


name: N-carboxymethyl-N2-hydroxyethylglycine, compound with 1,4-diazabicyclo[2.2.2]octane (2:1)
cas: 68227-29-2
dtxsid: DTXSID50887287
formula: C6H11NO5
inchikey: PAXNYNLXWTUHCK-UHFFFAOYSA-N
norman_susdat_id: NS00059935
pubchem_cid: 17832891
smiles: O=C(O)CN(CC(=O)O)C(O)C.O=C(O)CN(CC(=O)O)C(O)C.N12CCN(CC1)CC2
inchi:
InChI=1/C6H12N2.2C6H11NO5/c1-2-8-5-3-7(1)4-6-8;2*1-4(8)7(2-5(9)10)3-6(11)12/h1-6H2;2*4,8H,2-3H2,1H3,(H,9,10)(H,11,12)


name: 1,3-Benzenediol, 2,6-bis[(2-methylphenyl)azo]-
cas: 68227-37-2
chemspiderid: 7850930
dtxsid: DTXSID7071284
formula: C20H18N4O2
inchikey: IRUFHVUXHIIHIY-UHFFFAOYSA-N
norman_susdat_id: NS00036494
pubchem_cid: NA
smiles: Cc1ccccc1N/N=C1/C=CC(=O)/C(=NNc2ccccc2C)/C1=O
inchi:
InChI=1S/C20H18N4O2/c1-13-7-3-5-9-15(13)21-23-17-11-12-18(25)19(20(17)26)24-22-16-10-6-4-8-14(16)2/h3-12,21-22H,1-2H3/b23-17-,24-19+


name: Diammonium 7-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 68227-38-3
formula: C22H17N5O7S2.2H3N
inchikey: JGAURABZBOYCKR-UHFFFAOYSA-N
norman_susdat_id: NS00089807
smiles: [NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O
inchi:
InChI=1/C22H17N5O7S2.2H3N/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);2*1H3


name: Disodium 6-amino-3-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 68227-39-4
dtxsid: DTXSID7071286
formula: C17H14ClN3O7S2
inchikey: UWTWHBIPUFILGI-UHFFFAOYSA-L
norman_susdat_id: NS00060022
pubchem_cid: 109818
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(Cl)=C(C=C1N=NC2=C(O)C3=CC(N)=CC=C3C=C2S(=O)(=O)[O-])C
inchi:
InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-13(14(7-12(8)18)29(23,24)25)20-21-16-15(30(26,27)28)5-9-2-3-10(19)6-11(9)17(16)22;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: Sodium 5-[(3-nitrophenyl)azo]-8-(phenylamino)naphthalenesulphonate
cas: 68227-40-7
dtxsid: DTXSID80887290
formula: C22H17N4O5S
inchikey: OYXIMNPMVHQQKE-UHFFFAOYSA-M
norman_susdat_id: NS00060023
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C=1C=CC=C(N=NC=2C=CC(NC=3C=CC=CC3)=C4C2C=CC=C4S(=O)(=O)[O-])C1
inchi:
InChI=1/C22H16N4O5S.Na/c27-26(28)17-9-4-8-16(14-17)24-25-19-12-13-20(23-15-6-2-1-3-7-15)22-18(19)10-5-11-21(22)32(29,30)31;/h1-14,23H,(H,29,30,31);/q;+1/p-1


name: Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate
cas: 68227-41-8
dtxsid: DTXSID80889956
formula: C35H28N6O15S4
inchikey: IYQIZSSDYZJUES-UHFFFAOYSA-J
norman_susdat_id: NS00061075
pubchem_cid: NA
inchi:
InChI=1/C35H28N6O15S4.4Na/c1-55-31-15-23(40-38-21-5-3-19-11-25(57(43,44)45)17-33(27(19)13-21)59(49,50)51)7-9-29(31)36-35(42)37-30-10-8-24(16-32(30)56-2)41-39-22-6-4-20-12-26(58(46,47)48)18-34(28(20)14-22)60(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1OC)NC4=CC=C(N=NC5=CC=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4OC


name: 2-Naphthalenesulfonic acid, 6-amino-5-[(2,5-dichlorophenyl)azo]-4-hydroxy-
cas: 68227-43-0
chemspiderid: 4588680
dtxsid: DTXSID7071288
formula: C16H11Cl2N3O4S1
inchikey: SFMVNZLOHORTIO-UHFFFAOYSA-N
norman_susdat_id: NS00036495
pubchem_cid: NA
smiles: OS(=O)(=O)C1=CC(=O)C2=C(NNc3c(Cl)ccc(Cl)c3)C(=N)C=CC2=C1
inchi:
InChI=1S/C16H11Cl2N3O4S/c17-9-2-3-11(18)13(6-9)20-21-16-12(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16/h1-7,19-21H,(H,23,24,25)/b19-12-


cas: 68227-44-1
dtxsid: DTXSID40889957
formula: C36H25N7O10S3
inchikey: HVSPKSXGBRIJIN-UHFFFAOYSA-K
norman_susdat_id: NS00059426
pubchem_cid: NA
name:
Trisodium 8-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H25N7O10S3.3Na/c37-21-3-5-22(6-4-21)38-39-33-14-12-31(26-10-8-24(18-29(26)33)55(48,49)50)40-41-34-15-13-32(27-11-9-25(19-30(27)34)56(51,52)53)42-43-36-28-17-23(54(45,46)47)7-1-20(28)2-16-35(36)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC4=C(O)C=CC5=CC=C(C=C54)S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])=CC=C(N=NC7=CC=C(N)C=C7)C2C1


cas: 68227-46-3
dtxsid: DTXSID3028421
formula: C21H35N3O4
inchikey: RAPJDIISPXBNSG-UHFFFAOYSA-N
norman_susdat_id: NS00061076
pubchem_cid: 109826
smiles: O=C(OC1=CC=C(C(OC(=O)NCCN(C)C)=C1)C)NCC(CC)CCCC.O=C(O)C(O)C
name:
Lactic acid, compound with 3-[2-(dimethylamino)ethyl] 1-(2-ethylhexyl) toluene-2,4-dicarbamate (1:1)

inchi:
InChI=1/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-23-21(26)27-18-11-10-16(3)19(14-18)28-20(25)22-12-13-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6)


name: PROPYLENE GLYCOL DIUNDECANOATE
cas: 68227-47-4
chemspiderid: 98673
formula: C25H48O4
inchikey: KRQMPRFXIVBULR-UHFFFAOYSA-N
norman_susdat_id: NS00014017
pubchem_cid: 109827
smiles: CCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCC
inchi:
InChI=1S/C25H48O4/c1-4-6-8-10-12-14-16-18-20-24(26)28-22-23(3)29-25(27)21-19-17-15-13-11-9-7-5-2/h23H,4-22H2,1-3H3


name: 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[bis(2-aminoethyl)amino]propan-2-ol]
cas: 68227-54-3
dtxsid: DTXSID60887293
formula: C29H50N6O4
inchikey: FYGFNBBAJLHGHA-UHFFFAOYSA-N
norman_susdat_id: NS00061079
pubchem_cid: 109238
smiles: OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)CN(CCN)CCN)C=C2)(C)C)CN(CCN)CCN
inchi:
InChI=1/C29H50N6O4/c1-29(2,23-3-7-27(8-4-23)38-21-25(36)19-34(15-11-30)16-12-31)24-5-9-28(10-6-24)39-22-26(37)20-35(17-13-32)18-14-33/h3-10,25-26,36-37H,11-22,30-33H2,1-2H3


name: Sodium 3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]benzenesulphonate
cas: 68227-55-4
dtxsid: DTXSID20887294
formula: C24H19N3O6S
inchikey: FJIPWUSLBDLSCV-UHFFFAOYSA-M
norman_susdat_id: NS00059448
pubchem_cid: NA
smiles: [Na+].O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])=C2O
inchi:
InChI=1/C24H19N3O6S.Na/c1-33-21-12-5-4-11-20(21)25-24(29)19-13-15-7-2-3-10-18(15)22(23(19)28)27-26-16-8-6-9-17(14-16)34(30,31)32;/h2-14,28H,1H3,(H,25,29)(H,30,31,32);/q;+1/p-1


cas: 68227-56-5
dtxsid: DTXSID80887295
formula: C17H16ClN5O4S
inchikey: DFIRHORHPXOSRI-UHFFFAOYSA-N
norman_susdat_id: NS00059449
pubchem_cid: 109239
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)S(=O)(=O)NC)C3=CC=C(Cl)C=C3
name:
3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-N-methylbenzenesulphonamide

inchi:
InChI=1/C17H16ClN5O4S/c1-10-16(17(25)23(22-10)12-5-3-11(18)4-6-12)21-20-14-9-13(7-8-15(14)24)28(26,27)19-2/h3-9,16,19,24H,1-2H3


name: 2-[[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoic acid
cas: 68227-57-6
dtxsid: DTXSID40887296
formula: C19H18N4O3
inchikey: BVQXMAJFIDNCPG-UHFFFAOYSA-N
norman_susdat_id: NS00061080
pubchem_cid: 109831
smiles: O=C(O)C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C=3C=CC=CC3CC
inchi:
InChI=1/C19H18N4O3/c1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26/h4-11,17H,3H2,1-2H3,(H,25,26)


name: Benzenesulfonic acid, 3-[[4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-3-methoxyphenyl]azo]-
cas: 68227-58-7
chemspiderid: 84089
dtxsid: DTXSID1071290
formula: C24H24N6O4S1
inchikey: PKEUXPOEUNBWMH-UHFFFAOYSA-N
norman_susdat_id: NS00036496
pubchem_cid: 109832
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1OC)N=Nc1cccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C24H24N6O4S/c1-3-30(15-5-14-25)21-11-8-18(9-12-21)26-29-23-13-10-20(17-24(23)34-2)28-27-19-6-4-7-22(16-19)35(31,32)33/h4,6-13,16-17H,3,5,15H2,1-2H3,(H,31,32,33)/b28-27+,29-26+


name: Sodium 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2-sulphonate
cas: 68227-60-1
dtxsid: DTXSID1071292
formula: C14H10N2O7S
inchikey: UWTABRSXPJWDQH-UHFFFAOYSA-M
norman_susdat_id: NS00059450
pubchem_cid: 109836
smiles: [Na+].O=C1C=2C(O)=CC=C(N)C2C(=O)C3=C(N)C=C(C(O)=C13)S(=O)(=O)[O-]
inchi:
InChI=1/C14H10N2O7S.Na/c15-4-1-2-6(17)10-8(4)13(19)9-5(16)3-7(24(21,22)23)12(18)11(9)14(10)20;/h1-3,17-18H,15-16H2,(H,21,22,23);/q;+1/p-1


name: Sodium 5-[(4-ethoxyphenyl)azo]-8-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate
cas: 68227-62-3
dtxsid: DTXSID00887297
formula: C25H22N4O5S
inchikey: KHYZUGMRUOPBDI-UHFFFAOYSA-M
norman_susdat_id: NS00060024
pubchem_cid: 109838
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(OCC)C=C3)=CC=C(N=NC=4C=CC=CC4OC)C2C1
inchi:
InChI=1/C25H22N4O5S.Na/c1-3-34-18-10-8-17(9-11-18)26-27-22-14-15-23(28-29-24-6-4-5-7-25(24)33-2)21-16-19(35(30,31)32)12-13-20(21)22;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1


name: 2-chloro-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-5-hydroxybenzenesulphonamide
cas: 68227-63-4
dtxsid: DTXSID60887298
formula: C16H14ClN5O4S
inchikey: GFUYIWVDOHOKRK-UHFFFAOYSA-N
norman_susdat_id: NS00059451
pubchem_cid: 109240
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=C(C=C2O)S(=O)(=O)N)C=3C=CC=CC3
inchi:
InChI=1/C16H14ClN5O4S/c1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26/h2-8,15,23H,1H3,(H2,18,25,26)


name: Sodium 4-anilino-6-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-5-hydroxynaphthalene-1-sulphonate
cas: 68227-64-5
dtxsid: DTXSID20887299
formula: C22H16ClN4O7S
inchikey: OTVNMLPCLVECIS-UHFFFAOYSA-M
norman_susdat_id: NS00060025
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C=1C=C(Cl)C=C(N=NC=2C=CC3=C(C=CC(NC=4C=CC=CC4)=C3C2O)S(=O)(=O)[O-])C1O
inchi:
InChI=1/C22H15ClN4O7S.Na/c23-12-10-17(21(28)18(11-12)27(30)31)26-25-16-7-6-14-19(35(32,33)34)9-8-15(20(14)22(16)29)24-13-4-2-1-3-5-13;/h1-11,24,28-29H,(H,32,33,34);/q;+1/p-1


cas: 68227-65-6
dtxsid: DTXSID00889958
formula: C25H21N5O9S2
inchikey: WYUMVBKVYIOELZ-BDQCPVHUSA-L
norman_susdat_id: NS00059964
pubchem_cid: NA
name:
Disodium hydrogen 2-[[1-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate

inchi:
InChI=1/C25H21N5O9S2.2Na.H2/c1-14-23(28-27-20-5-3-2-4-19(20)25(32)33)24(31)30(29-14)18-11-9-16(22(13-18)41(37,38)39)7-6-15-8-10-17(26)12-21(15)40(34,35)36;;;/h2-13,23H,26H2,1H3,(H,32,33)(H,34,35,36)(H,37,38,39);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC=C(C=CC4=CC=C(N)C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 68227-66-7
dtxsid: DTXSID60889959
formula: C23H19N7O6S
inchikey: VPCIVFYZUSQJPY-UHFFFAOYSA-L
norman_susdat_id: NS00060026
pubchem_cid: 109841
smiles: [Na+].[Na+].O=C([O-])C1=NN(C=C1N=NC2=CC=C(N=NC3=CC=CC(=C3)S(=O)(=O)[O-])C=C2OC)C=4C=CC=C(N)C4
name:
Disodium 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]azo]-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C23H19N7O6S.2Na/c1-36-21-12-16(26-25-15-5-3-7-18(11-15)37(33,34)35)8-9-19(21)27-28-20-13-30(29-22(20)23(31)32)17-6-2-4-14(24)10-17;;/h2-13H,24H2,1H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2


name: 7-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-3-hydroxynaphthalene-1-sulphonic acid
cas: 68227-67-8
dtxsid: DTXSID70887300
formula: C20H16N4O5S
inchikey: JKSAMORUXOGBSQ-UHFFFAOYSA-N
norman_susdat_id: NS00059965
pubchem_cid: 109241
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=CC2)C3=CC=C4C=C(O)C=C(C4=C3)S(=O)(=O)O
inchi:
InChI=1/C20H16N4O5S/c1-12-19(22-21-14-5-3-2-4-6-14)20(26)24(23-12)15-8-7-13-9-16(25)11-18(17(13)10-15)30(27,28)29/h2-11,19,25H,1H3,(H,27,28,29)


name: Benzenesulfonic acid, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-4-chloro-
cas: 68227-68-9
chemspiderid: 98685
dtxsid: DTXSID6071293
formula: C10H10Cl1N3O3S1
inchikey: LVSMGNXVKQOJGO-UHFFFAOYSA-N
norman_susdat_id: NS00036497
pubchem_cid: 109843
smiles: Cc1nn(c(N)c1)c1c(Cl)ccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C10H10ClN3O3S/c1-6-4-10(12)14(13-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-5H,12H2,1H3,(H,15,16,17)


name: 1-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-hydroxy-
cas: 68227-71-4
chemspiderid: 98688
dtxsid: DTXSID1071296
formula: C17H14N2O5S1
inchikey: PZSWEZPRWRUNGB-UHFFFAOYSA-N
norman_susdat_id: NS00036500
pubchem_cid: 109846
smiles: Nc1ccc(cc1)C(=O)Nc1cc2c(cc(O)cc2cc1)S(=O)(=O)O
inchi:
InChI=1S/C17H14N2O5S/c18-12-4-1-10(2-5-12)17(21)19-13-6-3-11-7-14(20)9-16(15(11)8-13)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)


name: Disodium 8-(phenylamino)-5-[[4-(phenylazo)-6-sulphonato-1-naphthyl]azo]naphthalene-1-sulphonate
cas: 68227-72-5
dtxsid: DTXSID70889960
formula: C32H23N5O6S2
inchikey: NNEGULCNRRYWQY-UHFFFAOYSA-L
norman_susdat_id: NS00061098
pubchem_cid: 109847
inchi:
InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-14-15-24-26(20-23)29(35-34-22-10-5-2-6-11-22)17-16-27(24)36-37-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=CC(NC=4C=CC=CC4)=C5C3C=CC=C5S(=O)(=O)[O-])=CC=C(N=NC=6C=CC=CC6)C2C1


name: Disodium 8-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 68227-73-6
dtxsid: DTXSID30889961
formula: C22H17N5O7S2
inchikey: QDTBHMSJYYMBPU-UHFFFAOYSA-L
norman_susdat_id: NS00059966
pubchem_cid: 176342
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C=4C=CC=C(N)C4C=C3S(=O)(=O)[O-])C=C2)C=C1
inchi:
InChI=1/C22H17N5O7S2.2Na/c23-19-3-1-2-17-18(19)12-20(36(32,33)34)21(22(17)28)27-26-14-6-4-13(5-7-14)24-25-15-8-10-16(11-9-15)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: Benzenesulfonic acid, 3-amino-4-[(4-methylphenyl)sulfonyl]-
cas: 68227-75-8
chemspiderid: 98691
dtxsid: DTXSID6071297
formula: C13H13N1O5S2
inchikey: FBQWWILKAOYQGU-UHFFFAOYSA-N
norman_susdat_id: NS00036501
pubchem_cid: 109849
smiles: Cc1ccc(cc1)S(=O)(=O)c1c(N)cc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H13NO5S2/c1-9-2-4-10(5-3-9)20(15,16)13-7-6-11(8-12(13)14)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)


name: Propanamide, N-[3-[bis[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]-
cas: 68227-76-9
chemspiderid: 98692
dtxsid: DTXSID1071298
formula: C20H28N4O4
inchikey: OSRSOGDOPCRKNP-UHFFFAOYSA-N
norman_susdat_id: NS00036502
pubchem_cid: 109850
smiles: CCC(=O)Nc1ccc(OC)c(c1)N(CCOCCC#N)CCOCCC#N
inchi:
InChI=1S/C20H28N4O4/c1-3-20(25)23-17-6-7-19(26-2)18(16-17)24(10-14-27-12-4-8-21)11-15-28-13-5-9-22/h6-7,16H,3-5,10-15H2,1-2H3,(H,23,25)


cas: 68227-78-1
dtxsid: DTXSID8071300
formula: C32H25ClN4O4
inchikey: WWPCXBSKDSUELS-UHFFFAOYSA-N
norman_susdat_id: NS00059476
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC(Cl)=CC=C5C)=C2
name:
2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-

inchi:
InChI=1/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,38H,1-2H3,(H,34,39)(H,35,40)


name: 2-Propenoic acid, 4-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]butyl ester
cas: 68227-97-4
chemspiderid: 98695
dtxsid: DTXSID3071301
formula: C15H14F15N1O4S1
inchikey: XOBAFFLCNWEIRZ-UHFFFAOYSA-N
norman_susdat_id: NS00011234
pubchem_cid: 109855
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C=C
inchi:
InChI=1S/C15H14F15NO4S/c1-3-8(32)35-7-5-4-6-31(2)36(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h3H,1,4-7H2,2H3


name: 2-Propenoic acid, 4-[methyl[(tridecafluorohexyl)sulfonyl]amino]butyl ester
cas: 68227-98-5
chemspiderid: 98696
dtxsid: DTXSID8071302
formula: C14H14F13N1O4S1
inchikey: JLUHIZCVSXFBEG-UHFFFAOYSA-N
norman_susdat_id: NS00011223
pubchem_cid: 109856
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C=C
inchi:
InChI=1S/C14H14F13NO4S/c1-3-8(29)32-7-5-4-6-28(2)33(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h3H,1,4-7H2,2H3


name: 2-Propenoic acid, 4-[methyl[(undecafluoropentyl)sulfonyl]amino]butyl ester
cas: 68227-99-6
chemspiderid: 98697
dtxsid: DTXSID3071303
formula: C13H14F11N1O4S1
inchikey: IGHHYZVIDWXKMF-UHFFFAOYSA-N
norman_susdat_id: NS00011221
pubchem_cid: 109857
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C=C
inchi:
InChI=1S/C13H14F11NO4S/c1-3-8(26)29-7-5-4-6-25(2)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h3H,1,4-7H2,2H3


cas: 68228-00-2
dtxsid: DTXSID50882651
norman_susdat_id: NS00110631
name:
2-Propenoic acid, ethyl ester, polymer with 4-[[(heptadecafluorooctyl)sulfonyl]methylamino]butyl 2-propenoate, 4-[methyl[(nonafluorobutyl)sulfonyl]amino]butyl 2-propenoate, .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly(oxy-1,4 RESTEN= 482


name: Oleic acid, compound with 2-(heptadecenyl)-5H-oxazole-4,4-dimethanol (1:1)
cas: 68228-04-6
formula: C22H41NO3.C18H34O2
inchikey: WMOSGLPKNLDAMB-SVMKZPJVSA-N
norman_susdat_id: NS00090104
smiles: OCC1(CO)/N=C(/C=CCCCCCCCCCCCCCCC)OC1.CCCCCCCC\C=C/CCCCCCCC(O)=O
inchi:
InChI=1/C22H41NO3.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17,24-25H,2-15,18-20H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Ethyl 2-[[[2,4(or3,5)-dimethyl-3-cyclohexen-1-yl]methyl]amino]benzoate
cas: 68228-09-1
chemspiderid: 98226
dtxsid: DTXSID1052404
formula: C18H25N1O2
inchikey: LMNKTHVCBXOUSI-UHFFFAOYSA-N
norman_susdat_id: NS00012393
pubchem_cid: 109245
smiles: CCOC(=O)c1ccccc1NCC2CCC(=CC2C)C
inchi:
InChI=1S/C18H25NO2/c1-4-21-18(20)16-7-5-6-8-17(16)19-12-15-10-9-13(2)11-14(15)3/h5-8,11,14-15,19H,4,9-10,12H2,1-3H3


name: isosulfan blue
cas: 68238-36-8
dtxsid: DTXSID8057805
formula: C27H33N2O6S2
inchikey: YFKDCGWIINMRQY-UHFFFAOYSA-O
norman_susdat_id: NS00069521
pubchem_cid: 4695
smiles: CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1
inchi:
InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1


name: SORBITAN DIISOSTEA- RATE
cas: 68238-87-9
chemspiderid: 98704
formula: C42H80O7
inchikey: ONJPCDHZCFGTSI-UHFFFAOYSA-N
norman_susdat_id: NS00014099
pubchem_cid: 109866
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)C1OCC(O)C1O
inchi:
InChI=1S/C42H80O7/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-39(44)47-34-38(42-41(46)37(43)33-48-42)49-40(45)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-38,41-43,46H,5-34H2,1-4H3


name: 1,2,3-propanetriyl tris(2-hexyldecanoate)
cas: 68238-91-5
dtxsid: DTXSID10987757
formula: C51H98O6
inchikey: BXDHVEPMDVSCOF-UHFFFAOYSA-N
norman_susdat_id: NS00060071
pubchem_cid: 109247
smiles: O=C(OCC(OC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/C51H98O6/c1-7-13-19-25-28-34-39-45(37-31-22-16-10-4)49(52)55-43-48(57-51(54)47(41-33-24-18-12-6)42-36-30-27-21-15-9-3)44-56-50(53)46(38-32-23-17-11-5)40-35-29-26-20-14-8-2/h45-48H,7-44H2,1-6H3


cas: 68238-92-6
dtxsid: DTXSID8071306
formula: C31H19ClF2N6O14S4
inchikey: KFZGCQOLFVUWBZ-UHFFFAOYSA-J
norman_susdat_id: NS00061146
pubchem_cid: NA
name:
1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt

inchi:
InChI=1/C31H19ClF2N6O14S4.4Na/c32-24-28(33)37-31(34)38-29(24)35-15-4-1-3-13(9-15)30(42)36-20-12-16(55(43,44)45)10-14-11-22(57(49,50)51)25(26(41)23(14)20)40-39-19-8-7-17-18(27(19)58(52,53)54)5-2-6-21(17)56(46,47)48;;;;/h1-12,41H,(H,36,42)(H,35,37,38)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)[O-])=C3S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=C(C5)NC=6N=C(F)N=C(F)C6Cl


name: (2-hydroxy-1,1-dimethylethyl)ammonium palmitate
cas: 68239-05-4
formula: C16H32O2.C4H11NO
inchikey: JCAUMMFFSUIVSB-UHFFFAOYSA-N
norman_susdat_id: NS00090105
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CC(C)([NH3+])CO
inchi:
InChI=1/C16H32O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-4(2,5)3-6/h2-15H2,1H3,(H,17,18);6H,3,5H2,1-2H3


name: 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane
cas: 68239-06-5
dtxsid: DTXSID90867543
formula: C38H70N2O2
inchikey: AMUBKBXGFDIMDJ-UHFFFAOYSA-N
norman_susdat_id: NS00060013
pubchem_cid: 109248
smiles: O=C=NCCCCCCCCCC1CCC(CCCCC)C(CCCCCCC)C1CCCCCCCCCN=C=O
inchi:
InChI=1/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3


name: 3,7-bis(diethylamino)-1-ethoxyphenoxazin-5-ium nitrate
cas: 68239-07-6
dtxsid: DTXSID90887302
formula: C22H30N3O2
inchikey: WLERJQOSXFDJRL-UHFFFAOYSA-N
norman_susdat_id: NS00060072
pubchem_cid: 21118565
smiles: O=[N+]([O-])[O-].N=1C2=CC=C(C=C2[O+]=C3C=C(C=C(OCC)C13)N(CC)CC)N(CC)CC
inchi:
InChI=1/C22H30N3O2.NO3/c1-6-24(7-2)16-11-12-18-19(13-16)27-21-15-17(25(8-3)9-4)14-20(26-10-5)22(21)23-18;2-1(3)4/h11-15H,6-10H2,1-5H3;/q+1;-1


cas: 68239-10-1
dtxsid: DTXSID7071313
formula: C24H27N2O6S4
inchikey: PUPSWTJBTQACDC-UHFFFAOYSA-N
norman_susdat_id: NS00060015
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC=CC4[N+]3CCCS(=O)(=O)[O-])C.N(CC)(CC)CC
name:
Hydrogen 2-[2-methyl-3-[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C24H26N2O6S4.C6H15N.H2/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24;1-4-7(5-2)6-3;/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32);4-6H2,1-3H3;1H/q;;+1/p-1


name: 6'-methyl-7'-(3-sulphonatopropyl)spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium]
cas: 68239-11-2
dtxsid: DTXSID2071314
formula: C17H22NO5S2
inchikey: LNTHAPOUCNPOLE-UHFFFAOYSA-N
norman_susdat_id: NS00061148
pubchem_cid: 109883
smiles: O=S(=O)([O-])CCC[N+]=1C=2C=C3OC4(OC3=CC2SC1C)CCCCC4
inchi:
InChI=1/C17H21NO5S2/c1-12-18(8-5-9-25(19,20)21)13-10-14-15(11-16(13)24-12)23-17(22-14)6-3-2-4-7-17/h10-11H,2-9H2,1H3


name: 2,3-Quinoxalinediamine, N,N'-di-2-propenyl-, mono(4-methylbenzenesulfonate)
cas: 68239-12-3
chemspiderid: 95075
dtxsid: DTXSID7071315
formula: C14H16N4
inchikey: FPYDDNRHDKVMTA-UHFFFAOYSA-N
norman_susdat_id: NS00036505
pubchem_cid: NA
smiles: Cc1ccc(cc1)S(=O)(=O)O.C=CCNc1nc2ccccc2nc1NCC=C
inchi:
InChI=1S/C14H16N4/c1-3-9-15-13-14(16-10-4-2)18-12-8-6-5-7-11(12)17-13/h3-8H,1-2,9-10H2,(H,15,17)(H,16,18)


name: Cyclohexyldiethylammonium hydrogen glutarate
cas: 68239-13-4
formula: C10H21N.C5H8O4
inchikey: AWAPGSREZKXRMK-UHFFFAOYSA-M
norman_susdat_id: NS00090603
smiles: CC[NH+](CC)C1CCCCC1.[O-]C(=O)CCCC(=O)[O-]
inchi:
InChI=1/C10H21N.C5H8O4/c1-3-11(4-2)10-8-6-5-7-9-10;6-4(7)2-1-3-5(8)9/h10H,3-9H2,1-2H3;1-3H2,(H,6,7)(H,8,9)/p-1


name: Bis(cyclohexyldiethylammonium) glutarate
cas: 68239-14-5
formula: C10H21N.1/2C5H8O4
inchikey: YDTAOVWOJNQMBD-UHFFFAOYSA-N
norman_susdat_id: NS00089826
smiles: CC[NH+](CC)C1CCCCC1.CC[NH+](CC)C2CCCCC2.[O-]C(=O)CCCC(=O)[O-]
inchi:
InChI=1/2C10H21N.C5H8O4/c2*1-3-11(4-2)10-8-6-5-7-9-10;6-4(7)2-1-3-5(8)9/h2*10H,3-9H2,1-2H3;1-3H2,(H,6,7)(H,8,9)


name: Succinic acid, compound with N,N-diethylcyclohexylamine (1:1)
cas: 68239-15-6
formula: C10H21N.C4H6O4
inchikey: ZOXHYIJFQSNLSU-UHFFFAOYSA-N
norman_susdat_id: NS00089827
smiles: CCN(CC)C1CCCCC1.OC(=O)CCC(=O)O
inchi:
InChI=1/C10H21N.C4H6O4/c1-3-11(4-2)10-8-6-5-7-9-10;5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)


name: Succinic acid, compound with N,N-diethylcyclohexylamine (1:2)
cas: 68239-16-7
formula: C10H21N.1/2C4H6O4
inchikey: HGJKHKVGCFFLBQ-UHFFFAOYSA-N
norman_susdat_id: NS00090132
smiles: CCN(CC)C1CCCCC1.CCN(CC)C2CCCCC2.OC(=O)CCC(=O)O
inchi:
InChI=1/2C10H21N.C4H6O4/c2*1-3-11(4-2)10-8-6-5-7-9-10;5-3(6)1-2-4(7)8/h2*10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)


name: METHYL GLUCETH-10
cas: 68239-42-9
chemspiderid: NA
formula: C15H30O10
inchikey: UITSPQLTFPTHJZ-UHFFFAOYSA-N
norman_susdat_id: NS00013854
pubchem_cid: 19991269
smiles: CO[C@@H]1O[C@H](COCCO)C(OCCO)C(OCCO)C1OCCO
inchi:
InChI=1S/C15H30O10/c1-20-15-14(24-9-5-19)13(23-8-4-18)12(22-7-3-17)11(25-15)10-21-6-2-16/h11-19H,2-10H2,1H3/t11-,12?,13?,14?,15-/m1/s1


cas: 68239-43-0
dtxsid: DTXSID60897610
norman_susdat_id: NS00111185
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene), 2-hydroxyethyl 2-methyl-2-propenoate and N-(hydroxymethyl)-2-propenamide


name: 7H-Dibenz[f,ij]isoquinoline-4-sulfonic acid, 2-methyl-7-oxo-
cas: 68239-60-1
chemspiderid: 98735
dtxsid: DTXSID6071326
formula: C17H11N1O4S1
inchikey: YWVBEIADCVGBHU-UHFFFAOYSA-N
norman_susdat_id: NS00036510
pubchem_cid: 109904
smiles: Cc1nc2c(ccc3c2c(c1)c1c(cccc1)C3=O)S(=O)(=O)O
inchi:
InChI=1S/C17H11NO4S/c1-9-8-13-10-4-2-3-5-11(10)17(19)12-6-7-14(23(20,21)22)16(18-9)15(12)13/h2-8H,1H3,(H,20,21,22)


name: 9,10-Anthracenedione, 1-[(2,6-dibromo-4-methylphenyl)amino]-4-hydroxy-
cas: 68239-61-2
chemspiderid: 98736
dtxsid: DTXSID1071327
formula: C21H13Br2N1O3
inchikey: GUTWGLKCVAFMPJ-UHFFFAOYSA-N
norman_susdat_id: NS00036511
pubchem_cid: 109905
smiles: Cc1cc(Br)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(O)cc2)c(Br)c1
inchi:
InChI=1S/C21H13Br2NO3/c1-10-8-13(22)19(14(23)9-10)24-15-6-7-16(25)18-17(15)20(26)11-4-2-3-5-12(11)21(18)27/h2-9,24-25H,1H3


name: 1-(2-chlorophenyl)-3-methyl-1H-pyrazole-4,5-dione 4-[(4-dodecylphenyl)hydrazone]
cas: 68239-62-3
dtxsid: DTXSID30904421
formula: C28H37ClN4O
inchikey: WREJJGGTDCJNFA-UHFFFAOYSA-N
norman_susdat_id: NS00060117
pubchem_cid: NA
smiles: O=C1C(=NNC2=CC=C(C=C2)CCCCCCCCCCCC)C(=NN1C=3C=CC=CC3Cl)C
inchi:
InChI=1/C28H37ClN4O/c1-3-4-5-6-7-8-9-10-11-12-15-23-18-20-24(21-19-23)30-31-27-22(2)32-33(28(27)34)26-17-14-13-16-25(26)29/h13-14,16-21,30H,3-12,15H2,1-2H3


name: 4-[(4-chloro-2-methylphenyl)azo]-N-(4-dodecylphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 68239-63-4
dtxsid: DTXSID6071328
formula: C36H42ClN3O2
inchikey: YGDGODHUYDBXGM-UHFFFAOYSA-N
norman_susdat_id: NS00060118
pubchem_cid: 109907
smiles: O=C(NC1=CC=C(C=C1)CCCCCCCCCCCC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C36H42ClN3O2/c1-3-4-5-6-7-8-9-10-11-12-15-27-18-21-30(22-19-27)38-36(42)32-25-28-16-13-14-17-31(28)34(35(32)41)40-39-33-23-20-29(37)24-26(33)2/h13-14,16-25,41H,3-12,15H2,1-2H3,(H,38,42)


name: 4-dodecylbenzenediazonium chloride
cas: 68239-64-5
dtxsid: DTXSID70887305
formula: C18H29N2
inchikey: GOELRBDNVKNLNY-UHFFFAOYSA-M
norman_susdat_id: NS00059519
pubchem_cid: 109908
smiles: [Cl-].N#[N+]C1=CC=C(C=C1)CCCCCCCCCCCC
inchi:
InChI=1/C18H29N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17;/h13-16H,2-12H2,1H3;1H/q+1;/p-1


cas: 68239-65-6
formula: C26H28Cl2N3O6S
inchikey: VUWMFLLNEXBFLA-UHFFFAOYSA-N
norman_susdat_id: NS00060060
pubchem_cid: NA
smiles: O=C(OC(CN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC)CS(=O)(=O)[O-])C
name:
2-[3-[1-[2-acetoxy-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium

inchi:
InChI=1/C26H27Cl2N3O6S/c1-4-29-22-13-19(27)20(28)14-23(22)31(15-18(36-17(3)32)16-38(33,34)35)25(29)11-8-12-26-30(5-2)21-9-6-7-10-24(21)37-26/h6-14,18H,4-5,15-16H2,1-3H3


name: 1-[2-(acetoxy)-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazolium
cas: 68239-66-7
formula: C15H20Cl2N2O5S
inchikey: YLCXWBUMKDNCLE-UHFFFAOYSA-N
norman_susdat_id: NS00060119
pubchem_cid: NA
smiles: O=C(OC(C[NH+]1C2=CC(Cl)=C(Cl)C=C2N(CC)C1C)CS(=O)(=O)[O-])C
inchi:
InChI=1/C15H20Cl2N2O5S/c1-4-18-9(2)19(15-6-13(17)12(16)5-14(15)18)7-11(24-10(3)20)8-25(21,22)23/h5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,23)


cas: 68239-68-9
dtxsid: DTXSID1071329
formula: C27H31N4O4
inchikey: MATDQNMRZOTTCQ-UHFFFAOYSA-N
norman_susdat_id: NS00059520
pubchem_cid: NA
smiles: O=C(NC1=CC=C2OC(=CC(=CC=3OC=4C=CC(=CC4[N+]3CC)NC(=O)C)CC)N(C2=C1)CC)C.O=Cl(=O)(=O)[O-]
name:
5-(acetamido)-2-[2-[[5-(acetamido)-3-ethyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-ethylbenzoxazolium perchlorate

inchi:
InChI=1/C27H30N4O4.ClHO4/c1-6-19(13-26-30(7-2)22-15-20(28-17(4)32)9-11-24(22)34-26)14-27-31(8-3)23-16-21(29-18(5)33)10-12-25(23)35-27;2-1(3,4)5/h9-16H,6-8H2,1-5H3,(H-,28,29,32,33);(H,2,3,4,5)


cas: 68239-69-0
formula: C22H19N3O4S.Na
inchikey: ZQPVEFYHGQHTCB-UHFFFAOYSA-M
norman_susdat_id: NS00089853
smiles: [Na+].[O-]C(=O)CN4C(=S)N(c1ccccc1)C(=O)C4=CC=C3Oc2ccccc2N3CC
name:
Sodium 5-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetate

inchi:
InChI=1/C22H19N3O4S.Na/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27;/h3-13H,2,14H2,1H3,(H,26,27);/q;+1/p-1


name: Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate
cas: 68239-70-3
formula: C14H12N2O3S3.C6H15N
inchikey: HQFWNSHRGDOPHQ-UHFFFAOYSA-N
norman_susdat_id: NS00090611
smiles: CC[NH+](CC)CC.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC
inchi:
InChI=1/C14H12N2O3S3.C6H15N/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11;1-4-7(5-2)6-3/h3-6H,2,7H2,1H3,(H,17,18);4-6H2,1-3H3


cas: 68239-71-4
dtxsid: DTXSID90887307
formula: C40H50Cl4N4O3
inchikey: XICDCGUXWHQKLO-UHFFFAOYSA-N
norman_susdat_id: NS00060120
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C(=C1)NC2=NN(C(=O)C2)C=3C(Cl)=CC(Cl)=CC3Cl)C(OC4=CC=CC(=C4)CCCCCCCCCCCCCCC)CC
name:
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-(3-pentadecylphenoxy)butyramide

inchi:
InChI=1/C40H50Cl4N4O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-28-19-17-20-31(23-28)51-36(4-2)40(50)45-30-21-22-32(42)35(26-30)46-37-27-38(49)48(47-37)39-33(43)24-29(41)25-34(39)44/h17,19-26,36H,3-16,18,27H2,1-2H3,(H,45,50)(H,46,47)


name: 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(4-hydroxybutyl)-N-methyl-
cas: 68239-72-5
chemspiderid: 98740
dtxsid: DTXSID5071331
formula: C10H12F11N1O3S1
inchikey: YZMJHIOSEWYVSR-UHFFFAOYSA-N
norman_susdat_id: NS00011253
pubchem_cid: 109918
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCO
inchi:
InChI=1S/C10H12F11NO3S/c1-22(4-2-3-5-23)26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h23H,2-5H2,1H3


name: N-(4-Hydroxybutyl)-N-methylperfluorooctanesulfonamide
cas: 68239-73-6
chemspiderid: 98741
dtxsid: DTXSID0071332
formula: C13H12F17N1O3S1
inchikey: IARCBLTVLGDOGQ-UHFFFAOYSA-N
norman_susdat_id: NS00011328
pubchem_cid: 109919
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCO
inchi:
InChI=1S/C13H12F17NO3S/c1-31(4-2-3-5-32)35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h32H,2-5H2,1H3


name: 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)-N-methyl-
cas: 68239-74-7
chemspiderid: 98742
dtxsid: DTXSID5071333
formula: C11H12F13N1O3S1
inchikey: UXBLTIRZNSMGNQ-UHFFFAOYSA-N
norman_susdat_id: NS00011313
pubchem_cid: 109920
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCO
inchi:
InChI=1S/C11H12F13NO3S/c1-25(4-2-3-5-26)29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h26H,2-5H2,1H3


cas: 68239-75-8
dtxsid: DTXSID0071334
formula: C15H20F15NO5SSi
inchikey: SKFXNBMYNHVVJU-UHFFFAOYSA-N
norman_susdat_id: NS00059521
pubchem_cid: 109921
smiles: O=S(=O)(N(CC)CCC[Si](OC)(OC)OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[3-(trimethoxysilyl)propyl]heptane-1-sulphonamide

inchi:
InChI=1/C15H20F15NO5SSi/c1-5-31(7-6-8-38(34-2,35-3)36-4)37(32,33)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h5-8H2,1-4H3


name: 9,10-Anthracenedione, 1,4-bis[(2,6-dibromo-4-methylphenyl)amino]-
cas: 68239-76-9
chemspiderid: 98744
dtxsid: DTXSID5071335
formula: C28H18Br4N2O2
inchikey: MBBKLLKQAYFPGR-UHFFFAOYSA-N
norman_susdat_id: NS00022681
pubchem_cid: 109922
smiles: Cc1cc(Br)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3c(Br)cc(C)cc3Br)cc2)c(Br)c1
inchi:
InChI=1S/C28H18Br4N2O2/c1-13-9-17(29)25(18(30)10-13)33-21-7-8-22(34-26-19(31)11-14(2)12-20(26)32)24-23(21)27(35)15-5-3-4-6-16(15)28(24)36/h3-12,33-34H,1-2H3


name: 9,10-Anthracenedione, 1,4-bis[(2,4-dimethylphenyl)amino]-
cas: 68239-77-0
chemspiderid: 98745
dtxsid: DTXSID0071336
formula: C30H26N2O2
inchikey: CKAHGQQRLOXOEF-UHFFFAOYSA-N
norman_susdat_id: NS00036513
pubchem_cid: 109923
smiles: Cc1ccc(Nc2ccc(Nc3ccc(C)cc3C)c3c2C(=O)c2c(cccc2)C3=O)c(C)c1
inchi:
InChI=1S/C30H26N2O2/c1-17-9-11-23(19(3)15-17)31-25-13-14-26(32-24-12-10-18(2)16-20(24)4)28-27(25)29(33)21-7-5-6-8-22(21)30(28)34/h5-16,31-32H,1-4H3


name: 2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-butylphenol]
cas: 68239-78-1
dtxsid: DTXSID5071337
formula: C40H48N4O2
inchikey: WLTXMUDEAUCYGL-UHFFFAOYSA-N
norman_susdat_id: NS00059522
pubchem_cid: 109924
smiles: OC1=CC=C(C=C1N=NC2=CC=C(C=C2C)C3(C4=CC=C(N=NC5=CC(=CC=C5O)CCCC)C(=C4)C)CCCCC3)CCCC
inchi:
InChI=1/C40H48N4O2/c1-5-7-12-30-14-20-38(45)36(26-30)43-41-34-18-16-32(24-28(34)3)40(22-10-9-11-23-40)33-17-19-35(29(4)25-33)42-44-37-27-31(13-8-6-2)15-21-39(37)46/h14-21,24-27,45-46H,5-13,22-23H2,1-4H3


name: Bis[(diethylhydroxyphenyl)ammonium] sulphate
cas: 68239-84-9
dtxsid: DTXSID4071342
formula: C10H15NO
inchikey: HPVIJUQMPNIMLR-UHFFFAOYSA-N
norman_susdat_id: NS00060089
pubchem_cid: 21118576
smiles: O=S(=O)([O-])[O-].OC1=CC=C(C(=C1CC)CC)[NH3+].OC1=CC=C(C(=C1CC)CC)[NH3+]
inchi:
InChI=1/2C10H15NO.H2O4S/c2*1-3-7-8(4-2)10(12)6-5-9(7)11;1-5(2,3)4/h2*5-6,12H,3-4,11H2,1-2H3;(H2,1,2,3,4)


cas: 68240-15-3
formula: C12H19NO4
norman_susdat_id: NS00101522
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(2,5-dimethoxyphenyl)imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: (6R-cis)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
cas: 68244-05-3
formula: C16H16N2O4S
inchikey: CIPQGGYPCPIDBB-DOMZBBRYSA-N
norman_susdat_id: NS00089879
smiles: CC1=C(N2[C@@H](SC1)[C@H](NC(=O)Cc3ccccc3)C2=O)C(=O)O
inchi:
InChI=1/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)


name: Peplomycin
cas: 68247-85-8
formula: C61H88N18O21S2
inchikey: QIMGFXOHTOXMQP-IZSDKEPHSA-N
norman_susdat_id: NS00066760
pubchem_cid: 50112
inchi:
InChI=1/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)

smiles:
O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C=3N=CNC3)C(NC(=O)C=4N=C(N=C(N)C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C=7C=CC=CC7)C)C(O)C)C)OC(CO)C(O)C2O)N


cas: 68252-85-7
formula: C29H21Br2N5O13S3
inchikey: YCNUFQQLPRQJHX-UHFFFAOYSA-N
norman_susdat_id: NS00060110
pubchem_cid: 153110
name:
5-[[4-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C29H21Br2N5O13S3/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)

smiles:
O=C(NC1=CC=C(C=C1)C(=O)NC2=CC(=CC3=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC(=O)C(Br)=C)C(O)=C32)S(=O)(=O)O)S(=O)(=O)O)C(Br)=C


cas: 68258-63-9
dtxsid: DTXSID4071346
formula: C27H23ClN4O6
inchikey: DBMMIQSHKXJATR-UHFFFAOYSA-N
norman_susdat_id: NS00060172
pubchem_cid: 109931
smiles: O=C(N)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC23)C(=O)NC4=CC(Cl)=C(OC)C=C4OC)=C1
name:
4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C27H23ClN4O6/c1-36-21-9-8-15(26(29)34)11-20(21)31-32-24-16-7-5-4-6-14(16)10-17(25(24)33)27(35)30-19-12-18(28)22(37-2)13-23(19)38-3/h4-13,33H,1-3H3,(H2,29,34)(H,30,35)


name: Disodium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate
cas: 68258-66-2
formula: C22H16N2O6S.2Na
inchikey: JQERKGKQAHAPTJ-UHFFFAOYSA-L
norman_susdat_id: NS00090178
smiles: [Na+].[Na+].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C22H16N2O6S.2Na/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Oleic acid, compound with (o-hydroxybenzylidene)guanidine (1:1)
cas: 68258-69-5
formula: C18H34O2.C8H9N3O
inchikey: SVIJLKDZKXTZCO-KVVVOXFISA-N
norman_susdat_id: NS00090151
smiles: Oc1ccccc1C=NC(N)=N.CCCCCCCC\C=C/CCCCCCCC(O)=O
inchi:
InChI=1/C18H34O2.C8H9N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-8(10)11-5-6-3-1-2-4-7(6)12/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5,12H,(H3,9,10)


name: N,N'-ethylenebis[bis(2-hydroxypropyl)amine] toluene-p-sulphonate
cas: 68258-71-9
formula: C14H32N2O4.C7H8O3S
inchikey: WFRGHUZWCMREIB-UHFFFAOYSA-N
norman_susdat_id: NS00090179
smiles: CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.Cc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1/C14H32N2O4.C7H8O3S/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;1-6-2-4-7(5-3-6)11(8,9)10/h11-14,17-20H,5-10H2,1-4H3;2-5H,1H3,(H,8,9,10)


name: 2,2-bis(hydroxymethyl)propane-1,3-diyl didocosanoate
cas: 68258-72-0
dtxsid: DTXSID40987785
formula: C49H96O6
inchikey: WIWNPEDDOAMGGM-UHFFFAOYSA-N
norman_susdat_id: NS00061235
pubchem_cid: 109935
smiles: O=C(OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3


name: 4-amino-1,2-dihydro-1,5-dimethyl-3-oxo-2-phenyl-3H-pyrazolium dihydrogen phosphate
cas: 68258-97-9
formula: C11H13N3O.H3O4P
inchikey: CUDGKHKIJQRRAJ-UHFFFAOYSA-L
norman_susdat_id: NS00090180
smiles: C[NH+]1N(C(=O)C(=C1C)N)c2ccccc2.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C11H13N3O.H3O4P/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,12H2,1-2H3;(H3,1,2,3,4)/p-2


cas: 68258-99-1
formula: C31H26N9O9S
inchikey: QGTVPHDLNMATTC-UHFFFAOYSA-M
norman_susdat_id: NS00059563
pubchem_cid: NA
name:
Sodium 4-[[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitronaphthalene-1-sulphonate

inchi:
InChI=1/C31H25N9O9S.Na/c1-16-13-27(42)38(36-16)20-7-3-18(4-8-20)32-31(44)33-19-5-9-21(10-6-19)39-30(43)28(17(2)37-39)34-35-29-23-12-11-22(40(45)46)14-24(23)26(15-25(29)41)50(47,48)49;/h3-12,14-15,28,41H,13H2,1-2H3,(H2,32,33,44)(H,47,48,49);/q;+1/p-1

smiles:
[Na+].O=C(NC1=CC=C(C=C1)N2N=C(C)CC2=O)NC3=CC=C(C=C3)N4N=C(C)C(N=NC5=C(O)C=C(C6=CC(=CC=C56)[N+](=O)[O-])S(=O)(=O)[O-])C4=O


name: 1-Propanaminium, N-(2-amino-2-oxoethyl)-N,N-dimethyl-3-[(1-oxododecyl)amino]-, chloride (1:1)
cas: 68259-01-8
chemspiderid: 98754
dtxsid: DTXSID40887312
formula: C19H40N3O2
inchikey: HJXOWTDBKRNSRX-UHFFFAOYSA-O
norman_susdat_id: NS00013812
pubchem_cid: 109941
smiles: [Cl-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(N)=O
inchi:
InChI=1S/C19H39N3O2.ClH/c1-4-5-6-7-8-9-10-11-12-14-19(24)21-15-13-16-22(2,3)17-18(20)23;/h4-17H2,1-3H3,(H2-,20,21,23,24);1H


cas: 68259-02-9
formula: C25H19ClN10O16S5.5Na
inchikey: UYAABLNBFLLCJA-UHFFFAOYSA-I
norman_susdat_id: NS00089891
name:
Pentasodium 4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C25H19ClN10O16S5.5Na/c26-23-30-24(28)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(27)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H3,28,29,30,31,32);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5


cas: 68259-04-1
dtxsid: DTXSID8071350
formula: C56H50N8O20S2
inchikey: SRPPSSDNGIFMLC-UHFFFAOYSA-L
norman_susdat_id: NS00059584
pubchem_cid: 16130943
name:
Disodium dihydrogen [[4,4'-bis[[1-hydroxy-6-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]diacetate

inchi:
InChI=1/C56H50N8O20S2.2Na.2H2/c1-79-19-21-81-55(71)59-37-9-5-35(6-10-37)57-39-13-15-41-33(23-39)27-47(85(73,74)75)51(53(41)69)63-61-43-17-3-31(25-45(43)83-29-49(65)66)32-4-18-44(46(26-32)84-30-50(67)68)62-64-52-48(86(76,77)78)28-34-24-40(14-16-42(34)54(52)70)58-36-7-11-38(12-8-36)60-56(72)82-22-20-80-2;;;;/h3-18,23-28,57-58,69-70H,19-22,29-30H2,1-2H3,(H,59,71)(H,60,72)(H,65,66)(H,67,68)(H,73,74,75)(H,76,77,78);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[Na+].[Na+].O=C([O-])COC1=CC(=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=CC=C(C=C4)NC(=O)OCCOC)C5=CC=C(N=NC=6C(O)=C7C=CC(=CC7=CC6S(=O)(=O)[O-])NC8=CC=C(C=C8)NC(=O)OCCOC)C(OCC(=O)[O-])=C5


cas: 68259-05-2
chemspiderid: 7850950
dtxsid: DTXSID00887313
formula: C50H42Cl2N6O8
inchikey: XTBJBXBNPQDSCC-JRDITHOPSA-N
norman_susdat_id: NS00006327
pubchem_cid: 9576506
name:
Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1'-bis(2-chloroethyl) ester

inchi:
InChI=1S/C50H42Cl2N6O8/c1-27-16-17-33(49(63)65-20-18-51)26-41(27)55-57-43-34-13-7-5-11-31(34)24-37(45(43)59)47(61)53-39-22-30(4)40(23-29(39)3)54-48(62)38-25-32-12-6-8-14-35(32)44(46(38)60)58-56-42-28(2)10-9-15-36(42)50(64)66-21-19-52/h5-17,22-26,55-56H,18-21H2,1-4H3,(H,53,61)(H,54,62)/b57-43+,58-44-

smiles:
Cc1ccc(cc1NN=C1C(=O)C(=Cc2ccccc12)C(=O)Nc1cc(C)c(NC(=O)C2=Cc3ccccc3C(=NNc3c(C)cccc3C(=O)OCCCl)C2=O)cc1C)C(=O)OCCCl


name: Perfluorononanesulfonyl fluoride
cas: 68259-06-3
chemspiderid: 98755
dtxsid: DTXSID3071351
formula: C9F20O2S1
inchikey: NBFKXQZHVNHRSB-UHFFFAOYSA-N
norman_susdat_id: NS00011258
pubchem_cid: 109945
smiles: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C9F20O2S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31


name: Ammonium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonate
cas: 68259-07-4
formula: C7HF15O3S.H3N
inchikey: RCILBNOAZQUGEE-UHFFFAOYSA-N
norman_susdat_id: NS00090181
smiles: [NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C7HF15O3S.H3N/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;/h(H,23,24,25);1H3


name: Ammonium perfluorohexanesulfonate
cas: 68259-08-5
dtxsid: DTXSID3071353
formula: C6H4F13NO3S
inchikey: UGEFCGLPIFEPMQ-UHFFFAOYSA-N
norman_susdat_id: NS00109893
smiles: [NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C6HF13O3S.H3N/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);1H3


name: Perfluorononanesulfonic acid (PFNS)
cas: 68259-12-1
chemspiderid: 78474
dtxsid: DTXSID8071356
formula: C9H1F19O3S1
inchikey: MNEXVZFQQPKDHC-UHFFFAOYSA-N
norman_susdat_id: NS00011292
pubchem_cid: 86998
smiles: O=[S](=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)


name: 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-
cas: 68259-14-3
chemspiderid: 98761
dtxsid: DTXSID8071358
formula: C8H4F15N1O2S1
inchikey: KDHCALLFPWZTPN-UHFFFAOYSA-N
norman_susdat_id: NS00011247
pubchem_cid: 109951
smiles: CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H4F15NO2S/c1-24-27(25,26)8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h24H,1H3


name: Calcium a-ethyl-1-hydroxycyclohexaneacetate (1:2)
cas: 68259-16-5
formula: C10H18O3.1/2Ca
inchikey: UXKCGBUNYPPDMW-UHFFFAOYSA-L
norman_susdat_id: NS00090628
smiles: [CaH2].CCC(C(=O)[O-])C1(O)CCCCC1.CCC(C(=O)[O-])C2(O)CCCCC2
inchi:
InChI=1/2C10H18O3.Ca.2H/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;;;/h2*8,13H,2-7H2,1H3,(H,11,12);;;/q;;+2;;/p-2/r2C10H18O3.CaH2/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h2*8,13H,2-7H2,1H3,(H,11,12);1H2/q;;+2/p-2


name: 9H-Fluoren-3-amine, N,N-diethyl-6,8-dimethyl-
cas: 68259-18-7
chemspiderid: 95085
dtxsid: DTXSID7071361
formula: C19H23N1
inchikey: RIZOSLSFFFSXDV-UHFFFAOYSA-N
norman_susdat_id: NS00036518
pubchem_cid: 109954
smiles: CCN(CC)c1cc2c(Cc3c2cc(C)cc3C)cc1
inchi:
InChI=1S/C19H23N/c1-5-20(6-2)16-8-7-15-11-17-14(4)9-13(3)10-19(17)18(15)12-16/h7-10,12H,5-6,11H2,1-4H3


name: N-phenyl-1,1,3,3-tetramethylbutylnaphthalen-1-amine
cas: 68259-36-9
chemspiderid: 98766
formula: C24H29N1
inchikey: WMLKTLDRCSEWQL-UHFFFAOYSA-N
norman_susdat_id: NS00019442
pubchem_cid: 121494093
smiles: CC(C)(C)CC(C)(C)c1cc2c(cc1)c(Nc1ccccc1)ccc2
inchi:
InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)19-14-15-21-18(16-19)10-9-13-22(21)25-20-11-7-6-8-12-20/h6-16,25H,17H2,1-5H3


cas: 68259-38-1
dtxsid: DTXSID10883043
norman_susdat_id: NS00109292
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[ethyl[(perfluorohexyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-ethyl]-.omega.-hydroxy-


cas: 68259-39-2
dtxsid: DTXSID30883025
norman_susdat_id: NS00109985
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


name: Disodium p,p'-(2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis(benzenesulphonate)
cas: 6826-44-4
formula: C15H12N2O7S2.2Na
inchikey: APSHMRVPXPERJJ-UHFFFAOYSA-L
norman_susdat_id: NS00081280
smiles: [Na]OS(=O)(=O)c1ccc(cc1)C2=C(NC(=O)N2)c3ccc(cc3)S(=O)(=O)O[Na]
inchi:
InChI=1/C15H12N2O7S2.2Na/c18-15-16-13(9-1-5-11(6-2-9)25(19,20)21)14(17-15)10-3-7-12(8-4-10)26(22,23)24;;/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/rC15H10N2Na2O7S2/c18-25-27(21,22)11-5-1-9(2-6-11)13-14(17-15(20)16-13)10-3-7-12(8-4-10)28(23,24)26-19/h1-8H,(H2,16,17,20)


cas: 6826-53-5
formula: C30H24ClN3O10S3
inchikey: OHOXQHNWXQPWPZ-UHFFFAOYSA-L
norman_susdat_id: NS00045603
pubchem_cid: 135755602
name:
Disodium 3-[[5-chloro-2-(phenylmethoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H24ClN3O10S3.2Na/c1-18-7-10-22(11-8-18)45(36,37)34-25-16-23(46(38,39)40)13-20-14-27(47(41,42)43)29(30(35)28(20)25)33-32-24-15-21(31)9-12-26(24)44-17-19-5-3-2-4-6-19;;/h2-16,34-35H,17H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC(Cl)=CC=C3OCC=4C=CC=CC4)C(O)=C2C(=C1)NS(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)[O-]


name: 6-chloro-5-(cyclopentylmethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
cas: 68266-57-9
dtxsid: DTXSID50987796
formula: C16H19ClO2
inchikey: SKYWJQHJFLDKCI-UHFFFAOYSA-N
norman_susdat_id: NS00060166
pubchem_cid: 129289
smiles: O=C(O)C1C2=CC(Cl)=C(C=C2CC1)CC3CCCC3
inchi:
InChI=1/C16H19ClO2/c17-15-9-14-11(5-6-13(14)16(18)19)8-12(15)7-10-3-1-2-4-10/h8-10,13H,1-7H2,(H,18,19)


cas: 682809-44-5
chemspiderid: NA
formula: C28H25N7O8
inchikey: UGXGOVDFRONVNP-UHFFFAOYSA-N
norman_susdat_id: NS00009197
pubchem_cid: 57689529
smiles: CCN(CCC(=O)OCC(=O)c1ccccc1)c1ccc(N=Nc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C#N)c(NC(C)=O)c1
name:
3-{[3-Acetylamino-4-(2-cyano-4,6-dinitro-phenylazo)-phenyl]-ethyl-amino}-propionic acid 2-oxo-2-phenyl-ethyl ester

inchi:
InChI=1S/C28H25N7O8/c1-3-33(12-11-27(38)43-17-26(37)19-7-5-4-6-8-19)21-9-10-23(24(14-21)30-18(2)36)31-32-28-20(16-29)13-22(34(39)40)15-25(28)35(41)42/h4-10,13-15H,3,11-12,17H2,1-2H3,(H,30,36)


name: 14H-Benz[4,5]isoquino[2,1-a]perimidin-14-one
cas: 6829-22-7
chemspiderid: 73326
dtxsid: DTXSID8064482
formula: C22H12N2O1
inchikey: NIDFGXDXQKPZMA-UHFFFAOYSA-N
norman_susdat_id: NS00019744
pubchem_cid: 81271
smiles: O=c1n2c3cccc4c3c(ccc4)nc2c2cccc3c2c1ccc3
inchi:
InChI=1S/C22H12N2O/c25-22-16-10-2-6-13-5-1-9-15(19(13)16)21-23-17-11-3-7-14-8-4-12-18(20(14)17)24(21)22/h1-12H


name: Imipraminoxide
cas: 6829-98-7
chebiid: CHEBI:135256
chemspiderid: 59031
dtxsid: DTXSID40218445
formula: C19H24N2O1
inchikey: QZIQORUGXBPDSU-UHFFFAOYSA-N
norman_susdat_id: NS00001404
pubchem_cid: 65589
smiles: CN(C)(=O)CCCN1c2ccccc2CCc2ccccc12
inchi:
InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3


name: 2-Propenoic acid, 2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethyl ester
cas: 68298-06-6
chemspiderid: 98770
dtxsid: DTXSID2071368
formula: C12H12F11N1O4S1
inchikey: ZCIQIKYETQVARM-UHFFFAOYSA-N
norman_susdat_id: NS00011220
pubchem_cid: 109961
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCOC(=O)C=C)C
inchi:
InChI=1S/C12H12F11NO4S/c1-3-7(25)28-6-5-24(4-2)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h3H,1,4-6H2,2H3


name: 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
cas: 68298-08-8
chemspiderid: 98772
dtxsid: DTXSID6071370
formula: C12H8F11N1O2S1
inchikey: RMTNCHPOOXNCQZ-UHFFFAOYSA-N
norman_susdat_id: NS00011311
pubchem_cid: 109963
smiles: C1=CC=C(C=C1)CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H8F11NO2S/c13-8(14,9(15,16)11(19,20)21)10(17,18)12(22,23)27(25,26)24-6-7-4-2-1-3-5-7/h1-5,24H,6H2


name: 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(phenylmethyl)-
cas: 68298-09-9
chemspiderid: 98773
dtxsid: DTXSID1071371
formula: C13H8F13N1O2S1
inchikey: ZEIOJAPXFDPENM-UHFFFAOYSA-N
norman_susdat_id: NS00011314
pubchem_cid: 109964
smiles: C1=CC=C(C=C1)CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H8F13NO2S/c14-8(15,10(18,19)12(22,23)24)9(16,17)11(20,21)13(25,26)30(28,29)27-6-7-4-2-1-3-5-7/h1-5,27H,6H2


name: 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(phenylmethyl)-
cas: 68298-10-2
chemspiderid: 98774
dtxsid: DTXSID6071372
formula: C14H8F15N1O2S1
inchikey: ZJIFWMOMOPJFRZ-UHFFFAOYSA-N
norman_susdat_id: NS00011318
pubchem_cid: 109965
smiles: C1=CC=C(C=C1)CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H8F15NO2S/c15-8(16,9(17,18)11(21,22)13(25,26)27)10(19,20)12(23,24)14(28,29)33(31,32)30-6-7-4-2-1-3-5-7/h1-5,30H,6H2


name: 3-(((Perfluorooctyl)sulfonyl)(3-sulfopropyl)amino)-N-(2-hydroxyethyl)-N,N-dimethylpropanaminium
cas: 68298-11-3
chemspiderid: NA
dtxsid: DTXSID70880598
formula: C18H24F17N2O6S2
inchikey: QZALLPMHEZRDCS-UHFFFAOYSA-N
norman_susdat_id: NS00009594
pubchem_cid: NA
smiles: C[N](C)(CCO)CCCN(CCCS(O)(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H24F17N2O6S2/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h38H,3-10H2,1-2H3,(H,39,40,41)


cas: 68298-14-6
dtxsid: DTXSID6041474
formula: C34H78N10O2
inchikey: BHOUVFZHIJDBQJ-UHFFFAOYSA-N
norman_susdat_id: NS00060178
pubchem_cid: 21115050
smiles: O=C(NCCNCCNCCNCCN)CCCCCCCN(CCNCCNCCNCCCN)C(O)CCCCCCCC
name:
21-amino-N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-9-(1-hydroxynonyl)-9,12,15,18-tetraazahenicosanamide

inchi:
InChI=1/C34H78N10O2/c1-2-3-4-5-8-11-15-34(46)44(32-30-42-27-26-39-22-20-37-18-13-16-35)31-12-9-6-7-10-14-33(45)43-29-28-41-25-24-40-23-21-38-19-17-36/h34,37-42,46H,2-32,35-36H2,1H3,(H,43,45)


name: SODIUM STEAROAM- PHOACETATE
cas: 68298-17-9
chemspiderid: 60652
formula: C24H48N2O4
inchikey: LNOVYKOGIVPBAI-UHFFFAOYSA-N
norman_susdat_id: NS00014089
pubchem_cid: 67321
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC([O-])=O
inchi:
InChI=1S/C24H48N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1


name: Glycine, N-[2-(carboxymethoxy)ethyl]-N-[2-[(1-oxooctyl)amino]ethyl]-, disodium salt
cas: 68298-18-0
chemspiderid: 98781
dtxsid: DTXSID6071376
formula: C16H30N2O6
inchikey: AYVURSOEGHIHDH-UHFFFAOYSA-N
norman_susdat_id: NS00013616
pubchem_cid: 109972
smiles: [Na+].[Na+].CCCCCCCC(=O)NCCN(CCOCC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C16H30N2O6.2Na/c1-2-3-4-5-6-7-14(19)17-8-9-18(12-15(20)21)10-11-24-13-16(22)23;;/h2-13H2,1H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2


name: Glycine, N-[2-(carboxymethoxy)ethyl]-N-[2-[(1-oxododecyl)amino]ethyl]-, disodium salt
cas: 68298-20-4
chemspiderid: 98782
dtxsid: DTXSID1071377
formula: C20H38N2O6
inchikey: QKQCPXJIOJLHAL-UHFFFAOYSA-L
norman_susdat_id: NS00019680
pubchem_cid: NA
smiles: [Na+].[Na+].CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1S/C20H38N2O6/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-12-13-22(16-19(24)25)14-15-28-17-20(26)27/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27)


name: Glycine, N-[2-(carboxymethoxy)ethyl]-N-[2-[(1-oxodecyl)amino]ethyl]-, disodium salt
cas: 68298-22-6
chemspiderid: 98786
dtxsid: DTXSID6071378
formula: C18H34N2O6
inchikey: DZIRUQQVMIQYMV-UHFFFAOYSA-N
norman_susdat_id: NS00013615
pubchem_cid: 109977
smiles: [Na+].[Na+].CCCCCCCCCC(=O)NCCN(CCOCC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C18H34N2O6.2Na/c1-2-3-4-5-6-7-8-9-16(21)19-10-11-20(14-17(22)23)12-13-26-15-18(24)25;;/h2-15H2,1H3,(H,19,21)(H,22,23)(H,24,25);;/q;2*+1/p-2


name: Isophthalic acid, compound with 1-phenyl-1H-imidazole (1:2)
cas: 68298-27-1
formula: C9H8N2.1/2C8H6O4
inchikey: UVFXIEUMFZVPND-UHFFFAOYSA-N
norman_susdat_id: NS00090649
smiles: OC(=O)c1cccc(c1)C(=O)O.c2ccc(cc2)n3ccnc3.c4ccc(cc4)n5ccnc5
inchi:
InChI=1/2C9H8N2.C8H6O4/c2*1-2-4-9(5-3-1)11-7-6-10-8-11;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*1-8H;1-4H,(H,9,10)(H,11,12)


name: Bis(9,10-dibromooctadecyl) hydrogen phosphate
cas: 68298-31-7
dtxsid: DTXSID80987820
formula: C36H71Br4O4P
inchikey: GDKGEORXADBULN-UHFFFAOYSA-N
norman_susdat_id: NS00060237
pubchem_cid: 109272
smiles: O=P(O)(OCCCCCCCCC(Br)C(Br)CCCCCCCC)OCCCCCCCCC(Br)C(Br)CCCCCCCC
inchi:
InChI=1/C36H71Br4O4P/c1-3-5-7-9-15-21-27-33(37)35(39)29-23-17-11-13-19-25-31-43-45(41,42)44-32-26-20-14-12-18-24-30-36(40)34(38)28-22-16-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H,41,42)


name: 3,3'-[(dibutylstannylene)bis(thio)]bis(propane-1,2-diol)
cas: 68298-38-4
dtxsid: DTXSID00887318
formula: C14H32O4S2Sn
inchikey: BPZBMXMGCUKIDL-UHFFFAOYSA-L
norman_susdat_id: NS00060239
pubchem_cid: NA
smiles: OCC(O)CS[Sn](SCC(O)CO)(CCCC)CCCC
inchi:
InChI=1/2C4H9.2C3H8O2S.Sn/c2*1-3-4-2;2*4-1-3(5)2-6;/h2*1,3-4H2,2H3;2*3-6H,1-2H2;/q;;;;+2/p-2/rC14H32O4S2Sn/c1-3-5-7-21(8-6-4-2,19-11-13(17)9-15)20-12-14(18)10-16/h13-18H,3-12H2,1-2H3


name: 4-[(2-acetoxyethyl)thio]-4-butyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate
cas: 68298-39-5
dtxsid: DTXSID60887319
formula: C16H30O6S3Sn
inchikey: NHDFLDRVKBDAMJ-UHFFFAOYSA-K
norman_susdat_id: NS00061292
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)C)(SCCOC(=O)C)CCCC)C
inchi:
InChI=1/3C4H8O2S.C4H9.Sn/c3*1-4(5)6-2-3-7;1-3-4-2;/h3*7H,2-3H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC16H30O6S3Sn/c1-5-6-13-26(23-10-7-20-14(2)17,24-11-8-21-15(3)18)25-12-9-22-16(4)19/h5-13H2,1-4H3


name: Bis[2,3-dihydro-2,2-dimethyl-7-benzofurandiazonium] sulphate
cas: 68298-47-5
dtxsid: DTXSID4071390
formula: C10H11N2O
inchikey: OCNHESJYHUXIAA-UHFFFAOYSA-L
norman_susdat_id: NS00060266
pubchem_cid: 109994
smiles: N#[N+]C1=CC=CC2=C1OC(C)(C)C2.N#[N+]C1=CC=CC2=C1OC(C)(C)C2.O=S(=O)([O-])[O-]
inchi:
InChI=1/2C10H11N2O.H2O4S/c2*1-10(2)6-7-4-3-5-8(12-11)9(7)13-10;1-5(2,3)4/h2*3-5H,6H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 2-Propenoic acid, 2-[butyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
cas: 68298-60-2
chemspiderid: 98801
dtxsid: DTXSID9071393
formula: C16H16F15N1O4S1
inchikey: ZGQOMXKQOOGSHP-UHFFFAOYSA-N
norman_susdat_id: NS00011225
pubchem_cid: 109997
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCOC(=O)C=C)CCC
inchi:
InChI=1S/C16H16F15NO4S/c1-3-5-6-32(7-8-36-9(33)4-2)37(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4H,2-3,5-8H2,1H3


cas: 68298-72-6
chemspiderid: 2285491
dtxsid: DTXSID30880599
formula: C28H28F17N3O8S1
inchikey: WUGSPVXFVQZHFC-UHFFFAOYSA-N
norman_susdat_id: NS00019202
pubchem_cid: 3017840
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester

inchi:
InChI=1S/C28H28F17N3O8S/c1-6-48(9-10-54-19(50)46-16-8-7-14(4)17(11-16)47-20(51)56-15(5)12-55-18(49)13(2)3)57(52,53)28(44,45)26(39,40)24(35,36)22(31,32)21(29,30)23(33,34)25(37,38)27(41,42)43/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,46,50)(H,47,51)

smiles:
[H]N(C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(N([H])C(=O)OC(C)COC(=O)C(C)=C)=C(C)C=C1


cas: 68298-73-7
chemspiderid: 2285492
dtxsid: DTXSID40880601
formula: C27H28F15N3O8S1
inchikey: RPJIZRHOCVMSSZ-UHFFFAOYSA-N
norman_susdat_id: NS00019203
pubchem_cid: 3017841
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester

inchi:
InChI=1S/C27H28F15N3O8S/c1-6-45(54(49,50)27(41,42)25(36,37)23(32,33)21(28,29)22(30,31)24(34,35)26(38,39)40)9-10-51-19(47)43-16-8-7-14(4)17(11-16)44-20(48)53-15(5)12-52-18(46)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,43,47)(H,44,48)

smiles:
[H]N(C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(N([H])C(=O)OC(C)COC(=O)C(C)=C)=C(C)C=C1


cas: 68298-74-8
chemspiderid: 2285493
dtxsid: DTXSID20880604
formula: C26H28F13N3O8S1
inchikey: XCLCXQRFYCAXDN-UHFFFAOYSA-N
norman_susdat_id: NS00019204
pubchem_cid: 3017842
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester

inchi:
InChI=1S/C26H28F13N3O8S/c1-6-42(51(46,47)26(38,39)24(33,34)22(29,30)21(27,28)23(31,32)25(35,36)37)9-10-48-19(44)40-16-8-7-14(4)17(11-16)41-20(45)50-15(5)12-49-18(43)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,40,44)(H,41,45)

smiles:
[H]N(C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(N([H])C(=O)OC(C)COC(=O)C(C)=C)=C(C)C=C1


cas: 68298-75-9
chemspiderid: 95126
dtxsid: DTXSID80880605
formula: C25H28F11N3O8S1
inchikey: OBPWLOPGKWGMTO-UHFFFAOYSA-N
norman_susdat_id: NS00019205
pubchem_cid: 109281
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester

inchi:
InChI=1S/C25H28F11N3O8S/c1-6-39(48(43,44)25(35,36)23(30,31)21(26,27)22(28,29)24(32,33)34)9-10-45-19(41)37-16-8-7-14(4)17(11-16)38-20(42)47-15(5)12-46-18(40)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,37,41)(H,38,42)

smiles:
[H]N(C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(N([H])C(=O)OC(C)COC(=O)C(C)=C)=C(C)C=C1


cas: 68298-76-0
chemspiderid: 98257
dtxsid: DTXSID40880606
formula: C24H28F9N3O8S1
inchikey: ZNHAMOMCVOBRLM-UHFFFAOYSA-N
norman_susdat_id: NS00019206
pubchem_cid: 109282
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester

inchi:
InChI=1S/C24H28F9N3O8S/c1-6-36(45(40,41)24(32,33)22(27,28)21(25,26)23(29,30)31)9-10-42-19(38)34-16-8-7-14(4)17(11-16)35-20(39)44-15(5)12-43-18(37)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,34,38)(H,35,39)

smiles:
[H]N(C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(N([H])C(=O)OC(C)COC(=O)C(C)=C)=C(C)C=C1


cas: 68298-78-2
dtxsid: DTXSID30897541
norman_susdat_id: NS00110158
name:
2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(perfluorooctyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester, telomer with butyl 2-propenoate, 2-[[[[5-[[[2-[ethyl[(perfluorobutyl)sulfonyl]amino]ethoxy]carbon


cas: 68298-80-6
formula: C9H10F11NO3S
norman_susdat_id: NS00101731
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


cas: 68298-81-7
formula: C11H10F15NO3S
norman_susdat_id: NS00101736
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


cas: 68298-82-8
formula: C48H92N4O3
norman_susdat_id: NS00101760
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[4,5-dihydro-1-(2-hydroxyethyl)-2-(8Z)-8-heptadecenyl-1H-imidazolium-1-yl]ethoxy]-.omega.-[2-[4,5-dihydro-1-(2-hydroxyethyl)-2-(8Z)-8-heptadecenyl-1H-imidazolium-1-yl]ethyl]-, dichloride


name: 7'-ethyl-6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium] iodide
cas: 68298-85-1
dtxsid: DTXSID50887323
formula: C16H20NO2S
inchikey: MRJARZUMSMBYPC-UHFFFAOYSA-M
norman_susdat_id: NS00060298
pubchem_cid: 110000
smiles: [I-].O1C2=CC=3SC(=[N+](C3C=C2OC14CCCCC4)CC)C
inchi:
InChI=1/C16H20NO2S.HI/c1-3-17-11(2)20-15-10-14-13(9-12(15)17)18-16(19-14)7-5-4-6-8-16;/h9-10H,3-8H2,1-2H3;1H/q+1;/p-1


name: (Z)-4,5-dihydro-4-methyl-2-(9-octadecenyl)oxazole-4-methanol hydrofluoride
cas: 68298-86-2
formula: C23H43NO2
inchikey: WQMOAMFHAPFUDC-GMFCBQQYSA-N
norman_susdat_id: NS00059654
pubchem_cid: NA
smiles: F.OCC1(N=C(OC1)CCCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C23H43NO2.FH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(2,20-25)21-26-22;/h10-11,25H,3-9,12-21H2,1-2H3;1H


name: N-(4-Hydroxybutyl)-N-methyl-perfluoroheptanesulfonamide
cas: 68298-89-5
chemspiderid: 98804
dtxsid: DTXSID4071394
formula: C12H12F15N1O3S1
inchikey: PNBLAQHWLKUKEU-UHFFFAOYSA-N
norman_susdat_id: NS00011255
pubchem_cid: 110002
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCO
inchi:
InChI=1S/C12H12F15NO3S/c1-28(4-2-3-5-29)32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h29H,2-5H2,1H3


name: Disodium hexaammonium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 68298-90-8
formula: C10H28N2O12P4.6H3N.2Na
inchikey: YALAKXVWXYKPMD-UHFFFAOYSA-L
norman_susdat_id: NS00090662
inchi:
InChI=1/C10H28N2O12P4.6H3N.2Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);6*1H3;;/q;;;;;;;2*+1/p-2

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Sodium 2-((nonafluorobutylsulfonylamino)methyl)benzenesulfonate
cas: 68299-19-4
chemspiderid: 153629
dtxsid: DTXSID00880607
formula: C11H8F9N1O5S2
inchikey: AYBWYLPJRRPFMD-UHFFFAOYSA-N
norman_susdat_id: NS00011431
pubchem_cid: 176390
smiles: C1=C(CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=CC=C1)[S]([O-])(=O)=O.[Na+]
inchi:
InChI=1S/C11H8F9NO5S2.Na/c12-8(13,10(16,17)18)9(14,15)11(19,20)28(25,26)21-5-6-3-1-2-4-7(6)27(22,23)24;/h1-4,21H,5H2,(H,22,23,24);/q;+1/p-1


name: Sodium 2-((undecafluoropentylsulphonylamino)methyl)benzenesulphonate
cas: 68299-20-7
chemspiderid: 153631
dtxsid: DTXSID60880608
formula: C12H8F11N1O5S2
inchikey: CWMSCQAANJAKQQ-UHFFFAOYSA-N
norman_susdat_id: NS00011432
pubchem_cid: 176392
smiles: C1=C(CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=CC=C1)[S]([O-])(=O)=O.[Na+]
inchi:
InChI=1S/C12H8F11NO5S2.Na/c13-8(14,9(15,16)11(19,20)21)10(17,18)12(22,23)31(28,29)24-5-6-3-1-2-4-7(6)30(25,26)27;/h1-4,24H,5H2,(H,25,26,27);/q;+1/p-1


name: Sodium 2-((tridecafluorohexylsulphonylamino)methyl)benzenesulphonate
cas: 68299-21-8
chemspiderid: 153633
dtxsid: DTXSID20880609
formula: C13H8F13N1O5S2
inchikey: YHKMNNCWYKKKLZ-UHFFFAOYSA-N
norman_susdat_id: NS00011433
pubchem_cid: 176394
smiles: C1=C(CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=CC=C1)[S]([O-])(=O)=O.[Na+]
inchi:
InChI=1S/C13H8F13NO5S2.Na/c14-8(15,10(18,19)12(22,23)24)9(16,17)11(20,21)13(25,26)34(31,32)27-5-6-3-1-2-4-7(6)33(28,29)30;/h1-4,27H,5H2,(H,28,29,30);/q;+1/p-1


name: Sodium butyl-2-hydroxy[1,1'-biphenyl]sulphonate
cas: 68299-22-9
dtxsid: DTXSID40987826
formula: C16H20O4S
inchikey: PFMUSHNUNZXKMX-UHFFFAOYSA-M
norman_susdat_id: NS00060221
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1(O)C=CC=CC1C=2C=CC=CC2CCCC
inchi:
InChI=1/C16H20O4S.Na/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-16(15,17)21(18,19)20;/h4-7,9-12,15,17H,2-3,8H2,1H3,(H,18,19,20);/q;+1/p-1


name: 1-ethylmethylpyridinium ethyl sulphate
cas: 68299-25-2
dtxsid: DTXSID10887324
formula: C8H12N
inchikey: XQXVYZBUCWELOV-UHFFFAOYSA-M
norman_susdat_id: NS00060299
pubchem_cid: 176397
smiles: O=S(=O)([O-])OCC.C=1C=C[N+](=CC1)CCC
inchi:
InChI=1/C8H12N.C2H6O4S/c1-2-6-9-7-4-3-5-8-9;1-2-6-7(3,4)5/h3-5,7-8H,2,6H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 1-Pentabromophenoxy-2-tetrabromophenoxyethane
cas: 68299-26-3
chemspiderid: 98813
dtxsid: DTXSID6071403
formula: C14H5Br9O2
inchikey: GFUDECFZQUUKCZ-UHFFFAOYSA-N
norman_susdat_id: NS00036528
pubchem_cid: 110014
smiles: Brc1c(Br)c(Br)c(Br)c(OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br)c1
inchi:
InChI=1S/C14H5Br9O2/c15-4-3-5(7(17)8(18)6(4)16)24-1-2-25-14-12(22)10(20)9(19)11(21)13(14)23/h3H,1-2H2


name: 1-Pentabromophenoxy-2-tetrabromochlorophenoxyethane
cas: 68299-27-4
chemspiderid: 98814
dtxsid: DTXSID1071404
formula: C14H4Br9Cl1O2
inchikey: IZPUDUNKMAMNJZ-UHFFFAOYSA-N
norman_susdat_id: NS00036529
pubchem_cid: 110015
smiles: Clc1c(OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c(Br)c1Br
inchi:
InChI=1S/C14H4Br9ClO2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2


name: Sodium 2-((pentadecafluoroheptylsulphonylamino)methyl)benzenesulphonate
cas: 68299-29-6
chemspiderid: 153640
dtxsid: DTXSID30880610
formula: C14H8F15N1O5S2
inchikey: JHMVZVXNXMPZIE-UHFFFAOYSA-N
norman_susdat_id: NS00011434
pubchem_cid: 176402
smiles: C1=C(CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=CC=C1)[S]([O-])(=O)=O.[Na+]
inchi:
InChI=1S/C14H8F15NO5S2.Na/c15-8(16,9(17,18)11(21,22)13(25,26)27)10(19,20)12(23,24)14(28,29)37(34,35)30-5-6-3-1-2-4-7(6)36(31,32)33;/h1-4,30H,5H2,(H,31,32,33);/q;+1/p-1


name: 1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
cas: 683-10-3
chemspiderid: 12166
dtxsid: DTXSID6041266
formula: C16H34N1O2
inchikey: DVEKCXOJTLDBFE-UHFFFAOYSA-O
norman_susdat_id: NS00013827
pubchem_cid: 12687
smiles: [Na+].[Cl-].CCCCCCCCCCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C16H33NO2.ClH.Na/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19;;/h4-15H2,1-3H3;1H;/q;;+1/p-1


name: Dibutyltin dichloride
cas: 683-18-1
dtxsid: DTXSID8027292
formula: C8H18Cl2Sn
inchikey: RJGHQTVXGKYATR-UHFFFAOYSA-L
norman_susdat_id: NS00100167
smiles: [Cl-].[Cl-].CCCC[Sn+2]CCCC
inchi:
InChI=1/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2/rC8H18Sn.2ClH/c1-3-5-7-9-8-6-4-2;;/h3-8H2,1-2H3;2*1H/q+2;;/p-2


name: Amlexanox
cas: 68302-57-8
chebiid: CHEBI:31205
dtxsid: DTXSID2022595
formula: C16H14N2O4
inchikey: SGRYPYWGNKJSDL-UHFFFAOYSA-N
norman_susdat_id: NS00068066
pubchem_cid: 2161
smiles: CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
inchi:
InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)


name: CALCIUM MONTANATE
cas: 68308-22-5
chebiid: CHEBI:31001
chemspiderid: 10038
formula: C28H56O2
inchikey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
norman_susdat_id: NS00013426
pubchem_cid: 10470
smiles: [Ca++].CCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O
inchi:
InChI=1S/C28H56O2.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;/h2-27H2,1H3,(H,29,30);/q;+2/p-1


name: N-Butyl-N-(2-hydroxyethyl)perfluoroheptanesulfonamide
cas: 68310-02-1
chemspiderid: 98816
dtxsid: DTXSID6071407
formula: C13H14F15N1O3S1
inchikey: WIUXGCKDKOYUAL-UHFFFAOYSA-N
norman_susdat_id: NS00011256
pubchem_cid: 110017
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC)CO
inchi:
InChI=1S/C13H14F15NO3S/c1-2-3-4-29(5-6-30)33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h30H,2-6H2,1H3


cas: 68310-03-2
chemspiderid: 17287858
dtxsid: DTXSID1071408
formula: C54H30N4O6
inchikey: FMRNNSYWICBJSS-UHFFFAOYSA-N
norman_susdat_id: NS00036534
pubchem_cid: 16131146
name:
[1,1'-Biphenyl]-4-carboxamide, N-(9,10-dihydro-9,10-dioxo-2-anthracenyl)-4'-[[4'-(6,11-dihydro-6,11-dioxoanthra[2,1-d]oxazol-2-yl)[1,1'-biphenyl]-4-yl]azo]-

inchi:
InChI=1S/C54H30N4O6/c59-48-39-5-1-2-6-40(39)50(61)45-29-38(25-26-43(45)48)55-53(63)34-13-9-30(10-14-34)32-17-21-36(22-18-32)57-58-37-23-19-33(20-24-37)31-11-15-35(16-12-31)54-56-46-28-27-44-47(52(46)64-54)51(62)42-8-4-3-7-41(42)49(44)60/h1-29H,(H,55,63)

smiles:
O=C(Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1)c1ccc(cc1)c1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)c1nc2ccc3C(=O)c4c(cccc4)C(=O)c3c2o1


name: 2-[(4-Dodecylphenyl)azo]-4-(2,4-xylylazo)resorcinol
cas: 68310-04-3
chemspiderid: 7850953
dtxsid: DTXSID1052406
formula: C32H42N4O2
inchikey: QOKOJJLBIQKZNA-UHFFFAOYSA-N
norman_susdat_id: NS00019471
pubchem_cid: NA
smiles: CCCCCCCCCCCCc1ccc(N/N=C/2C(=O)C=C/C(=N/Nc3c(C)cc(C)cc3)/C2=O)cc1
inchi:
InChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3/b35-29-,36-31+


name: Benzamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-
cas: 68310-06-5
chemspiderid: 95149
dtxsid: DTXSID6071409
formula: C23H22Cl1N5O5
inchikey: NGQZKLOOMICCSD-UHFFFAOYSA-N
norman_susdat_id: NS00036535
pubchem_cid: 110019
smiles: OCCN(CCO)c1cc(NC(=O)c2ccccc2)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C23H22ClN5O5/c24-19-14-18(29(33)34)7-8-20(19)26-27-21-9-6-17(28(10-12-30)11-13-31)15-22(21)25-23(32)16-4-2-1-3-5-16/h1-9,14-15,30-31H,10-13H2,(H,25,32)/b27-26+


name: Dipotassium 1,5-dihydroxypentane-1,5-disulphonate
cas: 68310-08-7
formula: C5H12O8S2.2K
inchikey: NHRVBNYXBCAEOI-UHFFFAOYSA-L
norman_susdat_id: NS00090692
smiles: [K+].[K+].OC(CCCC(O)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C5H12O8S2.2K/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2


name: 2-Naphthalenol, 1-[(4-dodecylphenyl)azo]-
cas: 68310-09-8
chemspiderid: 7850954
dtxsid: DTXSID5071410
formula: C28H36N2O1
inchikey: JVKRPTBYXCEBRG-UHFFFAOYSA-N
norman_susdat_id: NS00036536
pubchem_cid: NA
smiles: CCCCCCCCCCCCc1ccc(N/N=C2/C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-11-14-23-17-20-25(21-18-23)29-30-28-26-16-13-12-15-24(26)19-22-27(28)31/h12-13,15-22,29H,2-11,14H2,1H3/b30-28+


name: Perfluoroeicosanoic acid
cas: 68310-12-3
chemspiderid: 2285495
dtxsid: DTXSID90887327
formula: C20H1F39O2
inchikey: VLLYHFSAJNIONB-UHFFFAOYSA-N
norman_susdat_id: NS00011278
pubchem_cid: 3017844
inchi:
InChI=1S/C20HF39O2/c21-2(22,1(60)61)3(23,24)4(25,26)5(27,28)6(29,30)7(31,32)8(33,34)9(35,36)10(37,38)11(39,40)12(41,42)13(43,44)14(45,46)15(47,48)16(49,50)17(51,52)18(53,54)19(55,56)20(57,58)59/h(H,60,61)

smiles:
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 68310-17-8
dtxsid: DTXSID70883044
norman_susdat_id: NS00111354
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[ethyl[(perfluoropentyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


cas: 68310-18-9
dtxsid: DTXSID00883057
norman_susdat_id: NS00108929
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


cas: 68310-19-0
formula: C46H93N3O5
norman_susdat_id: NS00101762
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with N,N'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl]bis[N-(2-hydroxyethyl)octadecanamide] (3:1)


cas: 68310-20-3
formula: C62H123N3O5
norman_susdat_id: NS00101751
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(1-oxooctadecyl)imino]bis[2,1-ethanediyl[(1-oxooctadecyl)imino]-2,1-ethanediyl]]bis[.omega.-hydroxy-


cas: 68310-21-4
formula: C42H73N3O4
norman_susdat_id: NS00101802
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with .alpha.-[[(2-hydroxyethyl)[2-[[2-[(2-hydroxyethyl)octadecylamino]ethyl](2-hydroxy-2-phenylethyl)amino]ethyl]amino]methyl]benzenemethanol (2:1)


name: Docosanamide, N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]-
cas: 68310-25-8
chemspiderid: 98818
dtxsid: DTXSID0071411
formula: C32H61N5O1
inchikey: UUERCIFOWAZFFQ-UHFFFAOYSA-N
norman_susdat_id: NS00036537
pubchem_cid: 110021
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N
inchi:
InChI=1S/C32H61N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32(38)36-28-31-37(29-22-25-34)30-27-35-26-21-24-33/h35H,2-23,26-31H2,1H3,(H,36,38)


cas: 68310-26-9
formula: C32H61N5O.C4H10O4S
inchikey: HUVCSHZFONZENL-UHFFFAOYSA-N
norman_susdat_id: NS00090275
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC
name:
Diethyl sulphate, compound with N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]docosanamide (1:1)

inchi:
InChI=1/C32H61N5O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32(38)36-28-31-37(29-22-25-34)30-27-35-26-21-24-33;1-3-7-9(5,6)8-4-2/h35H,2-23,26-31H2,1H3,(H,36,38);3-4H2,1-2H3


cas: 68310-27-0
dtxsid: DTXSID5071412
formula: C93H176N24
inchikey: IEMBUWHXCNUYST-UHFFFAOYSA-N
norman_susdat_id: NS00059787
pubchem_cid: 155024
name:
N2,N2-bis[3-[[4,6-bis[butyl(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N4,N6-dibutyl-N4,N6-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine

inchi:
InChI=1/C93H176N24/c1-31-37-49-112(67-55-82(7,8)105-83(9,10)56-67)76-96-73(97-77(102-76)113(50-38-32-2)68-57-84(11,12)106-85(13,14)58-68)94-45-43-47-111(75-100-80(116(53-41-35-5)71-63-90(23,24)109-91(25,26)64-71)104-81(101-75)117(54-42-36-6)72-65-92(27,28)110-93(29,30)66-72)48-44-46-95-74-98-78(114(51-39-33-3)69-59-86(15,16)107-87(17,18)60-69)103-79(99-74)115(52-40-34-4)70-61-88(19,20)108-89(21,22)62-70/h67-72,105-110H,31-66H2,1-30H3,(H,94,96,97,102)(H,95,98,99,103)

smiles:
N=1C(=NC(=NC1N(CCCC)C2CC(NC(C)(C)C2)(C)C)N(CCCC)C3CC(NC(C)(C)C3)(C)C)NCCCN(C=4N=C(N=C(N4)N(CCCC)C5CC(NC(C)(C)C5)(C)C)N(CCCC)C6CC(NC(C)(C)C6)(C)C)CCCNC=7N=C(N=C(N7)N(CCCC)C8CC(NC(C)(C)C8)(C)C)N(CCCC)C9CC(NC(C)(C)C9)(C)C


cas: 68310-42-9
formula: C23H26N2O4.C16H22O4
inchikey: AIGCMVGMKTZIPN-OWFMKFBASA-L
norman_susdat_id: NS00090286
name:
Strychnidin-10-one, 2,3-dimethoxy-, compd. with (S)-mono(1-methylheptyl)-1,2-benzenedicarboxylate (1:1)

inchi:
InChI=1/C23H26N2O4.C16H22O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/p-2

smiles:
CCCCCC[C@H](C)c1cccc(C(=O)[O-])c1C(=O)[O-].COc2cc3N4[C@H]5[C@@H]6[C@H](CC4=O)OCC=C7CN8CC[C@]5([C@@H]8C[C@H]67)c3cc2OC


cas: 68310-47-4
dtxsid: DTXSID60987843
formula: C31H25N3O3S
inchikey: AUBMTRZINYIPSH-FMWGRLTGSA-N
norman_susdat_id: NS00060345
pubchem_cid: 3034861
smiles: O=S(=O)(O)C=1C=CC=CC1N=C2C=CC(C=C2)=C(C3=CC=C(N)C=C3)C4=CC=C(C=C4)NC=5C=CC=CC5
name:
[[4-[(4-aminophenyl)[4-(phenylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonic acid

inchi:
InChI=1/C31H25N3O3S/c32-25-16-10-22(11-17-25)31(23-12-18-27(19-13-23)33-26-6-2-1-3-7-26)24-14-20-28(21-15-24)34-29-8-4-5-9-30(29)38(35,36)37/h1-21,33H,32H2,(H,35,36,37)


cas: 68310-49-6
chemspiderid: 4958093
dtxsid: DTXSID0071413
formula: C45H51N9O9
inchikey: SQUJXPIMSYXOJD-UHFFFAOYSA-N
norman_susdat_id: NS00036538
pubchem_cid: 6455848
name:
1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-

inchi:
InChI=1S/C45H51N9O9/c1-28-31(46-40(58)49-25-10-4-7-22-37(49)55)16-13-19-34(28)52-43(61)53(35-20-14-17-32(29(35)2)47-41(59)50-26-11-5-8-23-38(50)56)45(63)54(44(52)62)36-21-15-18-33(30(36)3)48-42(60)51-27-12-6-9-24-39(51)57/h13-21H,4-12,22-27H2,1-3H3,(H,46,58)(H,47,59)(H,48,60)

smiles:
Cc1c(cccc1NC(=O)N1CCCCCC1=O)n1c(=O)n(c(=O)n(c1=O)c1c(C)c(NC(=O)N2CCCCCC2=O)ccc1)c1c(C)c(NC(=O)N2CCCCCC2=O)ccc1


cas: 68310-57-6
formula: C14H22O
norman_susdat_id: NS00101313
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-, potassium salt


name: 1-ethyl-2-heptadecyl-4,5-dihydro-3-[2-[(1-oxooctadecyl)amino]ethyl]-1H-imidazolium ethyl sulphate
cas: 68310-72-5
dtxsid: DTXSID0071419
formula: C42H85N3O
inchikey: XIHANDFXMDPLRG-UHFFFAOYSA-N
norman_susdat_id: NS00060417
pubchem_cid: 21118588
smiles: O=C(NCCN1CC[NH+](CC)C1CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C42H85N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h42H,4-40H2,1-3H3,(H,43,46);2H2,1H3,(H,3,4,5)


name: (Z)-N,N,N,N',N'-pentamethyl-N'-octadec-9-enyl-N,N'-propane-1,3-diyldiammonium dichloride
cas: 68310-73-6
formula: C26H56N2.2Cl
inchikey: XERDYBRCVFVRCH-GEKVWEGFSA-L
norman_susdat_id: NS00090287
smiles: [Cl-].[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)CCC[N+](C)(C)C
inchi:
InChI=1/C26H56N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;;/h14-15H,7-13,16-26H2,1-6H3;2*1H/q+2;;/p-2


name: 3-((Perfluorooctylsulphonyl)amino)-N,N,N-trimethylpropanaminium iodide
cas: 68310-75-8
dtxsid: DTXSID90880611
formula: C14H19F17IN3O2S
inchikey: YONNGZYSTYQPFN-UHFFFAOYSA-M
norman_susdat_id: NS00111965
inchi:
InChI=1S/C14H16F17N2O2S.HI.H3N/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;;/h32H,4-6H2,1-3H3;1H;1H3/q+1;;/p-1

smiles:
[I-].[H]N([H])[H].[H]N(CCC[N+](C)(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-Naphthalenesulfonic acid, 3-[[5-hydroxy-2-[(4-hydroxyphenyl)sulfonyl]phenyl]methyl]-
cas: 68310-82-7
chemspiderid: 98833
dtxsid: DTXSID4071423
formula: C23H18O7S2
inchikey: ZFPWKZMBHSQTMV-UHFFFAOYSA-N
norman_susdat_id: NS00036543
pubchem_cid: 110044
smiles: Oc1ccc(cc1)S(=O)(=O)c1c(Cc2c(cc3ccccc3c2)S(=O)(=O)O)cc(O)cc1
inchi:
InChI=1S/C23H18O7S2/c24-19-5-8-21(9-6-19)31(26,27)22-10-7-20(25)13-18(22)12-17-11-15-3-1-2-4-16(15)14-23(17)32(28,29)30/h1-11,13-14,24-25H,12H2,(H,28,29,30)


name: 4,4'-[ethylenebis(oxy)]bis[N-(1,3-dimethylbutyl)aniline]
cas: 68310-87-2
dtxsid: DTXSID80887336
formula: C26H40N2O2
inchikey: JYSYQSXGESZDCA-UHFFFAOYSA-N
norman_susdat_id: NS00060606
pubchem_cid: 109300
smiles: O(C1=CC=C(C=C1)NC(C)CC(C)C)CCOC2=CC=C(C=C2)NC(C)CC(C)C
inchi:
InChI=1/C26H40N2O2/c1-19(2)17-21(5)27-23-7-11-25(12-8-23)29-15-16-30-26-13-9-24(10-14-26)28-22(6)18-20(3)4/h7-14,19-22,27-28H,15-18H2,1-6H3


cas: 68310-88-3
formula: C20H19N3.C7H6O2
inchikey: ZOTHQGXDNAVWGD-UHFFFAOYSA-N
norman_susdat_id: NS00090767
smiles: Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.OC(=O)c4ccccc4
name:
Benzoic acid, compound with 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine (1:1)

inchi:
InChI=1/C20H19N3.C7H6O2/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;8-7(9)6-4-2-1-3-5-6/h2-12,21H,22-23H2,1H3;1-5H,(H,8,9)


name: 2-[4-(dimethylamino)phenyl]-3,6-dimethylbenzothiazolium benzoate
cas: 68310-89-4
formula: C17H19N2S.C7H5O2
inchikey: YLNRZMQISIVORD-UHFFFAOYSA-M
norman_susdat_id: NS00090768
smiles: CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C.[O-]C(=O)c4ccccc4
inchi:
InChI=1/C17H19N2S.C7H6O2/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3;1-5H,(H,8,9)/q+1;/p-1


cas: 68311-03-5
formula: C14H26O7S
norman_susdat_id: NS00101652
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxo-3-sulfopropyl)-.omega.-(decyloxy)-, disodium salt


name: Phosphonic acid, isodecyl phenyl ester
cas: 68311-09-1
chemspiderid: 4891358
dtxsid: DTXSID9071428
formula: C16H26O3P1
inchikey: ZBVHUZUYKPCRFR-UHFFFAOYSA-N
norman_susdat_id: NS00021329
pubchem_cid: NA
smiles: CC(C)CCCCCCCO[P+](=O)Oc1ccccc1
inchi:
InChI=1S/C16H26O3P/c1-15(2)11-7-4-3-5-10-14-18-20(17)19-16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3/q+1


cas: 68311-22-8
formula: C19H36O7S
norman_susdat_id: NS00101560
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxo-3-sulfopropyl)-.omega.-(sec-pentadecyloxy)-, disodium salt


name: D-glucitol distearate
cas: 68317-50-0
dtxsid: DTXSID10987853
formula: C42H82O8
inchikey: MZIPZRNJUJLPSS-FOGKZQIUSA-N
norman_susdat_id: NS00060629
pubchem_cid: 6455855
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)C(O)C(O)C(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H82O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)49-36-38(42(48)41(47)37(44)35-43)50-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44,47-48H,3-36H2,1-2H3


cas: 68318-24-1
formula: C20H35NO
norman_susdat_id: NS00101906
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(diethylamino)ethyl]-.omega.-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-


cas: 68318-35-4
dtxsid: DTXSID10889969
formula: C36H29N7O12S3
inchikey: SACZVYJIBHJNEN-UHFFFAOYSA-K
norman_susdat_id: NS00060539
pubchem_cid: 135853505
name:
Trisodium 4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H29N7O12S3.3Na/c1-18-13-20(3-10-26(18)39-41-28-12-7-24(44)17-29(28)45)21-4-11-27(19(2)14-21)40-42-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)37)43-38-23-5-8-25(9-6-23)56(47,48)49;;;/h3-17,44-46H,37H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4C)C=5C=CC(N=NC6=CC=C(O)C=C6O)=C(C5)C)C3N)S(=O)(=O)[O-])C=C1


name: N,N,N-Trimethyl-3-(carboxymethyl(perfluorooctylsulfonyl)amino)-1-propanaminium
cas: 68318-36-5
chemspiderid: 98840
dtxsid: DTXSID3071430
formula: C16H18F17N2O4S1
inchikey: HBCIQEOSBTUVDJ-UHFFFAOYSA-N
norman_susdat_id: NS00011362
pubchem_cid: 110052
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[N+](C)(C)C)C([O-])=O
inchi:
InChI=1S/C16H17F17N2O4S/c1-35(2,3)6-4-5-34(7-8(36)37)40(38,39)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h4-7H2,1-3H3


name: 4,4',4''-[2-chloro-1-(dichloromethylene)propan-1-yl-3-ylidene]trismorpholine
cas: 68318-38-7
dtxsid: DTXSID40887337
formula: C16H26Cl3N3O3
inchikey: YVWFFAAZXOIGDJ-UHFFFAOYSA-N
norman_susdat_id: NS00059995
pubchem_cid: 109304
smiles: ClC(Cl)=C(N1CCOCC1)C(Cl)C(N2CCOCC2)N3CCOCC3
inchi:
InChI=1/C16H26Cl3N3O3/c17-13(14(15(18)19)20-1-7-23-8-2-20)16(21-3-9-24-10-4-21)22-5-11-25-12-6-22/h13,16H,1-12H2


name: Sebacanilide
cas: 6833-06-3
dtxsid: DTXSID30218474
formula: C22H28N2O2
inchikey: ONCDVKZXXAGMSL-UHFFFAOYSA-N
norman_susdat_id: NS00045122
pubchem_cid: 81275
smiles: O=C(NC=1C=CC=CC1)CCCCCCCCC(=O)NC=2C=CC=CC2
inchi:
InChI=1/C22H28N2O2/c25-21(23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(26)24-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,23,25)(H,24,26)


name: Nonactin
cas: 6833-84-7
chebiid: CHEBI:7614
chemspiderid: 65428
dtxsid: DTXSID10218477
formula: C40H64O12
inchikey: RMIXHJPMNBXMBU-QIIXEHPYSA-N
norman_susdat_id: NS00011656
pubchem_cid: 72519
inchi:
InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-

smiles:
C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C


name: 3,18-diethyl-7,14-dioxa-3,18-diazaicosane-5,16-diol dihydrochloride
cas: 68334-53-2
dtxsid: DTXSID20887234
formula: C20H44N2O4
inchikey: WHWMAGFRSCIXLZ-UHFFFAOYSA-N
norman_susdat_id: NS00061689
pubchem_cid: 109311
smiles: Cl.Cl.OC(COCCCCCCOCC(O)CN(CC)CC)CN(CC)CC
inchi:
InChI=1/C20H44N2O4.2ClH/c1-5-21(6-2)15-19(23)17-25-13-11-9-10-12-14-26-18-20(24)16-22(7-3)8-4;;/h19-20,23-24H,5-18H2,1-4H3;2*1H


name: [2-hydroxy-3-(tridecyloxy)propyl]trimethylammonium chloride
cas: 68334-55-4
dtxsid: DTXSID0049440
formula: C19H42NO2
inchikey: ZNENCJSVIBBUAO-UHFFFAOYSA-M
norman_susdat_id: NS00060566
pubchem_cid: 109314
smiles: [Cl-].OC(COCCCCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C19H42NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20(2,3)4;/h19,21H,5-18H2,1-4H3;1H/q+1;/p-1


name: 2-Imidazolidinone, 1-(2-hydroxyethyl)-3-octadecyl-
cas: 68334-69-0
chemspiderid: 73295
dtxsid: DTXSID3071436
formula: C23H46N2O2
inchikey: CGLDXZYBEYPUCY-UHFFFAOYSA-N
norman_susdat_id: NS00036546
pubchem_cid: 110063
smiles: CCCCCCCCCCCCCCCCCCN1CCN(CCO)C1=O
inchi:
InChI=1S/C23H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25(21-22-26)23(24)27/h26H,2-22H2,1H3


name: N,N'-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]imino]bis(methylene)]bis(docosanamide)
cas: 68334-70-3
dtxsid: DTXSID8071437
formula: C57H112N8O6
inchikey: GGOMVYDYDDBBMJ-UHFFFAOYSA-N
norman_susdat_id: NS00060068
pubchem_cid: 6455862
smiles: O=C(NCN(C=1N=C(N=C(N1)N(COC)COC)N(COC)COC)CNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C57H112N8O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-53(66)58-47-63(55-60-56(64(49-68-3)50-69-4)62-57(61-55)65(51-70-5)52-71-6)48-59-54(67)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-52H2,1-6H3,(H,58,66)(H,59,67)


name: Pentamycin
cas: 6834-98-6
chemspiderid: 4513835
dtxsid: DTXSID4046866
formula: C35H58O12
inchikey: AGJUUQSLGVCRQA-DBHIOOTNSA-N
norman_susdat_id: NS00011777
pubchem_cid: 5358751
smiles: CCCCCC(C1C(CC(CC(CC(CC(CC(C(C(/C(=C/C=C/C=C/C=C/C=C/C(C(OC1=O)C)O)/C)O)O)O)O)O)O)O)O)O
inchi:
InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+


name: 5,9-Pentadecadien-2-one, 6,10,14-trimethyl-
cas: 68345-18-6
chemspiderid: 4942076
dtxsid: DTXSID3071438
formula: C18H32O1
inchikey: MCLZEUMAJZAYEK-UHFFFAOYSA-N
norman_susdat_id: NS00022683
pubchem_cid: 110065
smiles: CC(C)CCCC(=CCCC(=CCCC(=O)C)C)C
inchi:
InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h11,13,15H,6-10,12,14H2,1-5H3/b16-11+,17-13+


name: 2,7-Naphthalenedisulfonic acid, 1-[bis[4-(diethylamino)phenyl]methyl]-
cas: 68345-20-0
chemspiderid: 98852
dtxsid: DTXSID8071439
formula: C31H36N2O6S2
inchikey: BCYNJKQQXIODNZ-UHFFFAOYSA-N
norman_susdat_id: NS00036548
pubchem_cid: 110067
smiles: CCN(CC)c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)c1c(ccc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C31H36N2O6S2/c1-5-32(6-2)25-15-9-23(10-16-25)30(24-11-17-26(18-12-24)33(7-3)8-4)31-28-21-27(40(34,35)36)19-13-22(28)14-20-29(31)41(37,38)39/h9-21,30H,5-8H2,1-4H3,(H,34,35,36)(H,37,38,39)


cas: 68345-21-1
dtxsid: DTXSID7071440
formula: C44H36N4O13S4
inchikey: ZRWXOODTQIOLBO-UHFFFAOYSA-L
norman_susdat_id: NS00060070
pubchem_cid: 93384
name:
Disodium 3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]naphthalene-2,7-disulphonate

inchi:
InChI=1/C44H36N4O13S4.2Na/c1-26-5-15-35(16-6-26)64(56,57)60-34-13-11-33(12-14-34)45-46-38-19-9-30(21-28(38)3)31-10-20-39(29(4)22-31)47-48-43-41(63(53,54)55)24-32-23-37(62(50,51)52)25-40(42(32)44(43)49)61-65(58,59)36-17-7-27(2)8-18-36;;/h5-25,49H,1-4H3,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C(OS(=O)(=O)C2=CC=C(C=C2)C)C=3C(C1)=CC(=C(N=NC4=CC=C(C=C4C)C5=CC=C(N=NC6=CC=C(OS(=O)(=O)C7=CC=C(C=C7)C)C=C6)C(=C5)C)C3O)S(=O)(=O)[O-]


name: 4,4'-iminobisbenzenediazonium tetrachlorozincate (1:1)
cas: 68348-77-6
formula: C12H9N5.Cl4Zn
inchikey: ZGMKZCQLNCOKKM-UHFFFAOYSA-J
norman_susdat_id: NS00090131
smiles: Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1
inchi:
InChI=1/C12H9N5.4ClH.Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;;;;;/h1-8,15H;4*1H;/q+2;;;;;+2/p-4/rC12H9N5.Cl4Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;1-5(2,3)4/h1-8,15H;/q+2;-2


name: Hydroxystreptomycin
cas: 6835-00-3
chebiid: CHEBI:24750
chemspiderid: 21759
dtxsid: DTXSID20218483
formula: C21H39N7O13
inchikey: OFNXOACBUMGOPC-HZYVHMACSA-N
norman_susdat_id: NS00011546
pubchem_cid: 23267
inchi:
InChI=1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

smiles:
CN[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@@H](O[C@H]([C@@]2(C=O)O)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)NC(=N)N)O)NC(=N)N)CO)O)O


name: Methyl (3a,14a,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylate
cas: 6835-99-0
chebiid: CHEBI:70504
formula: C21H26N2O3
inchikey: RXPRRQLKFXBCSJ-HLAWJBBLSA-N
norman_susdat_id: NS00081613
smiles: CC[C@@]12CCCN3CCc4c([C@H]13)n(c5ccccc45)[C@@](O)(C2)C(=O)OC
inchi:
InChI=1/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3


name: Cyfluthrin
cas: 68359-37-5
chebiid: CHEBI:4034
chemspiderid: 94690
dtxsid: DTXSID5035957
formula: C22H18Cl2F1N1O3
inchikey: QQODLKZGRKWIFG-UHFFFAOYSA-N
norman_susdat_id: NS00007574
pubchem_cid: 104926
smiles: CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
inchi:
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3


name: Sorbinil
cas: 68367-52-2
chebiid: CHEBI:102029
dtxsid: DTXSID0023587
formula: C11H9FN2O3
inchikey: LXANPKRCLVQAOG-NSHDSACASA-N
norman_susdat_id: NS00068081
pubchem_cid: 337359
smiles: O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1
inchi:
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1


name: Barium bis[6-chloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-2-sulphonate]
cas: 68368-34-3
dtxsid: DTXSID2071445
formula: C17H13ClN2O4S
inchikey: TYANXFGJPWZLPB-UHFFFAOYSA-L
norman_susdat_id: NS00060090
pubchem_cid: NA
inchi:
InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-13(18)7-8-14(17(10)25(22,23)24)19-20-16-12-5-3-2-4-11(12)6-9-15(16)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C=1C(N=NC2=C(O)C=CC=3C=CC=CC32)=CC=C(Cl)C1C.O=S(=O)([O-])C=1C(N=NC2=C(O)C=CC=3C=CC=CC32)=CC=C(Cl)C1C


name: Barium bis[2,5-dichloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 68368-35-4
dtxsid: DTXSID7071446
formula: C17H12Cl2N2O4S
inchikey: KEUUBWBHPXWNDR-UHFFFAOYSA-L
norman_susdat_id: NS00060589
pubchem_cid: NA
inchi:
InChI=1/2C17H12Cl2N2O4S.Ba/c2*1-9-8-12(18)17(26(23,24)25)16(14(9)19)21-20-15-11-5-3-2-4-10(11)6-7-13(15)22;/h2*2-8,22H,1H3,(H,23,24,25);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C1=C(Cl)C=C(C(Cl)=C1N=NC2=C(O)C=CC=3C=CC=CC32)C.O=S(=O)([O-])C1=C(Cl)C=C(C(Cl)=C1N=NC2=C(O)C=CC=3C=CC=CC32)C


name: Barium bis[2,6-dichloro-3-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 68368-36-5
dtxsid: DTXSID2071447
formula: C17H12Cl2N2O4S
inchikey: LWGLLRHCQOCVOL-UHFFFAOYSA-L
norman_susdat_id: NS00060680
pubchem_cid: NA
inchi:
InChI=1/2C17H12Cl2N2O4S.Ba/c2*1-9-12(18)8-14(26(23,24)25)17(15(9)19)21-20-16-11-5-3-2-4-10(11)6-7-13(16)22;/h2*2-8,22H,1H3,(H,23,24,25);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C1=CC(Cl)=C(C(Cl)=C1N=NC2=C(O)C=CC=3C=CC=CC32)C.O=S(=O)([O-])C1=CC(Cl)=C(C(Cl)=C1N=NC2=C(O)C=CC=3C=CC=CC32)C


name: Phosphoric acid, nonyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 68368-49-0
formula: -
inchikey: VOLBIZCIRFKLQV-UHFFFAOYSA-N
norman_susdat_id: NS00091159
smiles: CCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C9H21O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;8-4-1-7(2-5-9)3-6-10/h2-9H2,1H3,(H2,10,11,12);8-10H,1-6H2


cas: 68368-53-6
formula: C24H53N3O
norman_susdat_id: NS00101784
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[[2-[[2-(octadecylamino)ethyl]amino]ethyl]amino]ethyl]-.omega.-hydroxy-


name: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]
cas: 6837-37-2
dtxsid: DTXSID90884336
formula: C38H40N6O6
inchikey: YXSIPVMEJUWUHA-UHFFFAOYSA-N
norman_susdat_id: NS00044445
pubchem_cid: 110930
smiles: O=C(NC1=CC=C(C=C1C)C)C(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC(C(=O)NC4=CC=C(C=C4C)C)C(=O)C)C(OC)=C3)C(=O)C
inchi:
InChI=1/C38H40N6O6/c1-21-9-13-29(23(3)17-21)39-37(47)35(25(5)45)43-41-31-15-11-27(19-33(31)49-7)28-12-16-32(34(20-28)50-8)42-44-36(26(6)46)38(48)40-30-14-10-22(2)18-24(30)4/h9-20,35-36H,1-8H3,(H,39,47)(H,40,48)


name: 3-amino-7-(dimethylamino)-5-(2,4-dimethylphenyl)-1,4-dimethylphenazinium chloride
cas: 6837-45-2
dtxsid: DTXSID90987917
formula: C24H27N4
inchikey: XSQKWHIBPHJAFM-UHFFFAOYSA-N
norman_susdat_id: NS00044446
pubchem_cid: 81280
smiles: [Cl-].N=1C=2C=CC(=CC2[N+](C=3C=CC(=CC3C)C)=C4C1C(=CC(N)=C4C)C)N(C)C
inchi:
InChI=1/C24H26N4.ClH/c1-14-7-10-21(15(2)11-14)28-22-13-18(27(5)6)8-9-20(22)26-23-16(3)12-19(25)17(4)24(23)28;/h7-13,25H,1-6H3;1H


name: 4-ethoxy-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 6837-94-1
formula: C12H12O8S2
inchikey: LCGZDSZETRKQQN-UHFFFAOYSA-N
norman_susdat_id: NS00081614
smiles: CCOc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C12H12O8S2/c1-2-20-11-6-9(22(17,18)19)4-7-3-8(21(14,15)16)5-10(13)12(7)11/h3-6,13H,2H2,1H3,(H,14,15,16)(H,17,18,19)


cas: 68379-36-2
formula: C17H34O3
norman_susdat_id: NS00101216
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[1,3-dimethyl-1-(2-methylpropyl)hexyl]-.omega.-(3-ethoxy-3-oxopropoxy)-


name: 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,5-disulphonic acid
cas: 6838-01-3
dtxsid: DTXSID8064486
formula: C14H12N2O7S2
inchikey: ZDBIDERWCKMIAU-UHFFFAOYSA-N
norman_susdat_id: NS00045656
pubchem_cid: 81282
smiles: O=C1N(N=C(C)C1)C=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O
inchi:
InChI=1/C14H12N2O7S2/c1-8-5-14(17)16(15-8)9-6-11-10(13(7-9)25(21,22)23)3-2-4-12(11)24(18,19)20/h2-4,6-7H,5H2,1H3,(H,18,19,20)(H,21,22,23)


name: Methanesulfonamide, N-[2-[(2,6-dicyano-4-methylphenyl)azo]-5-(diethylamino)phenyl]-
cas: 68385-96-6
chemspiderid: 98869
dtxsid: DTXSID6071459
formula: C20H22N6O2S1
inchikey: NSLHLMXJNOITEZ-UHFFFAOYSA-N
norman_susdat_id: NS00020336
pubchem_cid: 110090
smiles: CCN(CC)c1cc(NS(=O)(=O)C)c(cc1)N=Nc1c(cc(C)cc1C#N)C#N
inchi:
InChI=1S/C20H22N6O2S/c1-5-26(6-2)17-7-8-18(19(11-17)25-29(4,27)28)23-24-20-15(12-21)9-14(3)10-16(20)13-22/h7-11,25H,5-6H2,1-4H3/b24-23+


name: DI-C12-18 ALKYL DIMO- NIUM CHLORIDE
cas: 68391-05-9
chemspiderid: 23327
formula: C30H64N1
inchikey: CJBMLKNLJXFFGD-UHFFFAOYSA-N
norman_susdat_id: NS00013569
pubchem_cid: 24953
smiles: [Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1S/C30H64N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1


cas: 68391-08-2
dtxsid: DTXSID70883049
norman_susdat_id: NS00111355
name:
Alcohols, C8-14, .gamma.-.omega.-perfluoro-  (2-Perfluoro-C6-12-alkyl ethanol) (Telomeric Mixture, C8:2 rich)


name: 5-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]thio]phenyl]azo]salicylic acid
cas: 68391-17-3
formula: C26H18N4O6S
inchikey: SKLJVVXODZQYRW-UHFFFAOYSA-N
norman_susdat_id: NS00062308
pubchem_cid: NA
smiles: O=C(O)C1=CC(N=NC2=CC=C(SC=3C=CC=CC3N=NC4=CC=C(O)C(=C4)C(=O)O)C=C2)=CC=C1O
inchi:
InChI=1/C26H18N4O6S/c31-22-11-7-16(13-19(22)25(33)34)28-27-15-5-9-18(10-6-15)37-24-4-2-1-3-21(24)30-29-17-8-12-23(32)20(14-17)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)


name: Carbonylbis[(1H-benzimidazol-1-ylcarbonyl)benzoic] acid
cas: 68391-20-8
formula: C31H18N4O7
inchikey: HPTDYUOLHKHPJK-UHFFFAOYSA-N
norman_susdat_id: NS00062309
pubchem_cid: NA
smiles: O=C(O)C1=CC=CC(C(=O)C=2C=CC=C(C(=O)O)C2C(=O)N3C=NC=4C=CC=CC43)=C1C(=O)N5C=NC=6C=CC=CC65
inchi:
InChI=1/C31H18N4O7/c36-27(17-7-5-9-19(30(39)40)25(17)28(37)34-15-32-21-11-1-3-13-23(21)34)18-8-6-10-20(31(41)42)26(18)29(38)35-16-33-22-12-2-4-14-24(22)35/h1-16H,(H,39,40)(H,41,42)


cas: 68391-24-2
dtxsid: DTXSID30887341
formula: C27H32ClN2
inchikey: BYEFPVHXDRKQAC-UHFFFAOYSA-M
norman_susdat_id: NS00062001
pubchem_cid: 110095
smiles: [Cl-].ClC=1C=CC=CC1C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC
name:
[4-[(2-chlorophenyl)[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride

inchi:
InChI=1/C27H32ClN2.ClH/c1-5-29(6-2)23-17-13-21(14-18-23)27(25-11-9-10-12-26(25)28)22-15-19-24(20-16-22)30(7-3)8-4;/h9-20H,5-8H2,1-4H3;1H/q+1;/p-1


name: 1-[[4-[(4-aminophenyl)methyl]phenyl]amino]-3-phenoxypropan-2-ol
cas: 68391-25-3
dtxsid: DTXSID10867580
formula: C22H24N2O2
inchikey: MLUQNLFGONTXMM-UHFFFAOYSA-N
norman_susdat_id: NS00063545
pubchem_cid: 109321
smiles: OC(COC=1C=CC=CC1)CNC2=CC=C(C=C2)CC3=CC=C(N)C=C3
inchi:
InChI=1/C22H24N2O2/c23-19-10-6-17(7-11-19)14-18-8-12-20(13-9-18)24-15-21(25)16-26-22-4-2-1-3-5-22/h1-13,21,24-25H,14-16,23H2


name: Benzoic acid, 2-(1H-benzimidazol-1-ylcarbonyl)-3,4,5,6-tetrachloro-
cas: 68391-26-4
chemspiderid: 95217
dtxsid: DTXSID0071461
formula: C15H6Cl4N2O3
inchikey: LSXSFYOXBYEKGC-UHFFFAOYSA-N
norman_susdat_id: NS00036563
pubchem_cid: 110097
smiles: OC(=O)c1c(C(=O)n2cnc3c2cccc3)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C15H6Cl4N2O3/c16-10-8(9(15(23)24)11(17)13(19)12(10)18)14(22)21-5-20-6-3-1-2-4-7(6)21/h1-5H,(H,23,24)


name: [7-hydroxy-8-[(2-methoxyphenyl)azo]-2-naphthyl]trimethylammonium chloride
cas: 68391-30-0
dtxsid: DTXSID10879784
formula: C20H22N3O2
inchikey: HSWXSHNPRUMJKI-UHFFFAOYSA-N
norman_susdat_id: NS00062512
pubchem_cid: NA
smiles: [Cl-].OC=1C=CC2=CC=C(C=C2C1N=NC=3C=CC=CC3OC)[N+](C)(C)C
inchi:
InChI=1/C20H21N3O2.ClH/c1-23(2,3)15-11-9-14-10-12-18(24)20(16(14)13-15)22-21-17-7-5-6-8-19(17)25-4;/h5-13H,1-4H3;1H


cas: 68391-31-1
chemspiderid: 85391
dtxsid: DTXSID50275928
formula: C19H22N5O1
inchikey: FNIKRFDDVJOGMK-QZQOTICOSA-N
norman_susdat_id: NS00013389
pubchem_cid: NA
smiles: [Cl-].CC1=NN(c2ccccc2)C(=O)C1N=Nc3cccc(c3)[N+](C)(C)C
name:
n,n,n-trimethyl-3-[(e)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-4-yl)diazenyl]anilinium chloride

inchi:
InChI=1S/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1


name: [8-[(4-amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride
cas: 68391-32-2
dtxsid: DTXSID90887342
formula: C19H21N5O3
inchikey: CMPPYVDBIJWGCB-UHFFFAOYSA-N
norman_susdat_id: NS00062002
pubchem_cid: NA
smiles: [Cl-].O=[N+]([O-])C1=CC(N=NC2=C(O)C=CC3=CC=C(C=C32)[N+](C)(C)C)=CC=C1N
inchi:
InChI=1/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-13-6-8-16(20)17(10-13)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]-
cas: 68391-42-4
chemspiderid: 247
dtxsid: DTXSID0071465
formula: C19H19N5O4
inchikey: QLRDACXDRLGLOC-UHFFFAOYSA-N
norman_susdat_id: NS00020112
pubchem_cid: 110106
smiles: CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H19N5O4/c1-15(25)28-14-13-23(12-2-11-20)18-7-3-16(4-8-18)21-22-17-5-9-19(10-6-17)24(26)27/h3-10H,2,12-14H2,1H3/b22-21+


name: Ethanol, 2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-
cas: 68391-44-6
chemspiderid: 98881
dtxsid: DTXSID0071467
formula: C18H14Br1N5O5
inchikey: VWGJTRUCDOJLSW-UHFFFAOYSA-N
norman_susdat_id: NS00036565
pubchem_cid: 110108
smiles: OCCNc1c2ccccc2c(cc1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H14BrN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2/b22-21+


name: 2,6-dichloro-4-nitrobenzenediazonium sulphate (2:1)
cas: 68391-45-7
dtxsid: DTXSID5071468
formula: C6H3Cl2N3O2
inchikey: WWJQBZKVNWWHCT-UHFFFAOYSA-L
norman_susdat_id: NS00063547
pubchem_cid: 110109
smiles: N#[N+]C1=C(Cl)C=C(C=C1Cl)[N+](=O)[O-].N#[N+]C1=C(Cl)C=C(C=C1Cl)[N+](=O)[O-].O=S(=O)([O-])[O-]
inchi:
InChI=1/2C6H2Cl2N3O2.H2O4S/c2*7-4-1-3(11(12)13)2-5(8)6(4)10-9;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)/q2*+1;/p-2


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2,4-dinitrophenyl)azo]phenyl]-
cas: 68391-47-9
chemspiderid: 96121
dtxsid: DTXSID9071470
formula: C22H24N6O9
inchikey: FLCJGMFVUFLMTJ-UHFFFAOYSA-N
norman_susdat_id: NS00036566
pubchem_cid: 110112
smiles: CC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C22H24N6O9/c1-14(29)23-21-12-17(26(8-10-36-15(2)30)9-11-37-16(3)31)4-6-19(21)24-25-20-7-5-18(27(32)33)13-22(20)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)/b25-24+


name: 3,3'-[[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis(ethyleneoxy)]bispropiononitrile
cas: 68391-49-1
formula: C22H24ClN6O4
inchikey: FQPWUOTVBNCXQS-UHFFFAOYSA-N
norman_susdat_id: NS00062334
pubchem_cid: 110114
smiles: N#CCCOCCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C=C1)CCOCCC#N
inchi:
InChI=1/C22H23ClN6O4/c23-21-17-20(29(30)31)7-8-22(21)27-26-18-3-5-19(6-4-18)28(11-15-32-13-1-9-24)12-16-33-14-2-10-25/h3-8,17H,1-2,11-16H2


name: 2-bromo-4,6-dinitrobenzenediazonium sulphate (2:1)
cas: 68391-50-4
dtxsid: DTXSID9071472
formula: C6H4BrN4O4
inchikey: QRVCCIJHGQFIBC-UHFFFAOYSA-L
norman_susdat_id: NS00063596
pubchem_cid: 110115
inchi:
InChI=1/2C6H2BrN4O4.H2O4S/c2*7-4-1-3(10(12)13)2-5(11(14)15)6(4)9-8;1-5(2,3)4/h2*1-2H;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
N#[N+]C1=C(Br)C=C(C=C1[N+](=O)[O-])[N+](=O)[O-].N#[N+]C1=C(Br)C=C(C=C1[N+](=O)[O-])[N+](=O)[O-].O=S(=O)([O-])[O-]


name: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-
cas: 68391-51-5
chemspiderid: 85650
dtxsid: DTXSID4071473
formula: C16H14Cl1N5O2
inchikey: BLQXHXLSDYOZLF-UHFFFAOYSA-N
norman_susdat_id: NS00036568
pubchem_cid: 110117
smiles: Cc1c(ccc(NCCC#N)c1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H14ClN5O2/c1-11-9-12(19-8-2-7-18)3-5-15(11)20-21-16-6-4-13(22(23)24)10-14(16)17/h3-6,9-10,19H,2,8H2,1H3/b21-20+


name: 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-(diallylamino)propan-2-ol]
cas: 68391-52-6
dtxsid: DTXSID70887345
formula: C33H46N2O4
inchikey: QXYMVIAZTSDOLA-UHFFFAOYSA-N
norman_susdat_id: NS00062028
pubchem_cid: 109327
smiles: OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)CN(CC=C)CC=C)C=C2)(C)C)CN(CC=C)CC=C
inchi:
InChI=1/C33H46N2O4/c1-7-19-34(20-8-2)23-29(36)25-38-31-15-11-27(12-16-31)33(5,6)28-13-17-32(18-14-28)39-26-30(37)24-35(21-9-3)22-10-4/h7-18,29-30,36-37H,1-4,19-26H2,5-6H3


name: 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hexafluorophosphate
cas: 68391-58-2
formula: C14H12Cl2N3O.F6P
inchikey: KCWFWUUKSNYLKP-UHFFFAOYSA-N
norman_susdat_id: NS00091088
smiles: CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C14H12Cl2N3O.F6P/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-7(2,3,4,5)6/h3-8H,1-2H3;/q+1;-1


name: 3-chloro-4-(cyclohexylmethylamino)benzenediazonium hexafluorophosphate
cas: 68391-59-3
formula: C13H17ClN3.F6P
inchikey: MTYLZRYIBFPSGX-UHFFFAOYSA-N
norman_susdat_id: NS00091089
smiles: F[P-](F)(F)(F)(F)F.Clc1cc(ccc1NCC2CCCCC2)[N+]#N
inchi:
InChI=1/C13H17ClN3.F6P/c14-12-8-11(17-15)6-7-13(12)16-9-10-4-2-1-3-5-10;1-7(2,3,4,5)6/h6-8,10,16H,1-5,9H2;/q+1;-1


name: 4-Hydroxytamoxifen
cas: 68392-35-8
chebiid: CHEBI:92076
chemspiderid: 4509087
dtxsid: DTXSID3037094
formula: C26H29N1O2
inchikey: TXUZVZSFRXZGTL-UHFFFAOYSA-N
norman_susdat_id: NS00004647
pubchem_cid: 63062
smiles: CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
inchi:
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3


cas: 68392-94-9
formula: C26H27N2O7S4
inchikey: CENOURTWKFERQO-UHFFFAOYSA-N
norman_susdat_id: NS00062335
pubchem_cid: NA
name:
Hydrogen 2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium, compound with triethylamine

inchi:
InChI=1/C26H26N2O7S4.C6H15N.H2/c1-35-19-9-11-22-21(16-19)27(12-4-14-38(29,30)31)24(36-22)17-25-28(13-5-15-39(32,33)34)26-20-7-3-2-6-18(20)8-10-23(26)37-25;1-4-7(5-2)6-3;/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCN1C(SC2=CC=C(OC)C=C21)=CC=3SC4=CC=C5C=CC=CC5=C4[N+]3CCCS(=O)(=O)[O-].N(CC)(CC)CC


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2-nitrophenyl)azo]-
cas: 68399-70-2
chemspiderid: 7850966
dtxsid: DTXSID4071479
formula: C24H18N4O4
inchikey: FEPNIDWCPNLQJM-UHFFFAOYSA-N
norman_susdat_id: NS00036570
pubchem_cid: NA
smiles: Cc1ccccc1NC(=O)C1=Cc2ccccc2/C(=N/Nc2ccccc2[N+](=O)[O-])/C1=O
inchi:
InChI=1S/C24H18N4O4/c1-15-8-2-5-11-19(15)25-24(30)18-14-16-9-3-4-10-17(16)22(23(18)29)27-26-20-12-6-7-13-21(20)28(31)32/h2-14,26H,1H3,(H,25,30)/b27-22-


name: 2-[(4-chloro-2-nitrophenyl)azo]-3-oxo-N-(o-tolyl)butyramide
cas: 68399-71-3
dtxsid: DTXSID80887351
formula: C17H16ClN4O4
inchikey: LBFPUDOPAKZQRX-UHFFFAOYSA-N
norman_susdat_id: NS00062352
pubchem_cid: 110131
smiles: O=C(NC=1C=CC=CC1C)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C17H15ClN4O4/c1-10-5-3-4-6-13(10)19-17(24)16(11(2)23)21-20-14-8-7-12(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)


name: Barium 3-hydroxy-4-(naphthylazo)naphthalene-2,7-disulphonate
cas: 68399-74-6
dtxsid: DTXSID3071480
formula: C20H14N2O7S2
inchikey: HZGFWBIESVONTB-UHFFFAOYSA-L
norman_susdat_id: NS00062030
pubchem_cid: 110132
smiles: [Ba+2].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=CC=4C=CC=CC34)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.Ba/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


cas: 68399-87-1
dtxsid: DTXSID60887359
formula: C22H15Cl2N7O10S2
inchikey: ZRDUNOGZJOMOGI-UHFFFAOYSA-N
norman_susdat_id: NS00062031
pubchem_cid: 110139
smiles: O=C(O)C1=NN(C(=O)C1N=NC=2C=CC=CC2S(=O)(=O)O)C3=CC(=CC(=C3C)S(=O)(=O)O)NC(=O)C4=CC(Cl)=NN=C4Cl
name:
1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C22H15Cl2N7O10S2/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41)


cas: 68399-88-2
dtxsid: DTXSID70887360
formula: C21H13Cl2N7O10S2
inchikey: QMDPJAHMESDXOK-UHFFFAOYSA-N
norman_susdat_id: NS00063598
pubchem_cid: 110140
smiles: O=C(O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)O)NC(=O)C3=CC(Cl)=NN=C3Cl)C4=CC=C(C=C4)S(=O)(=O)O
name:
4-[[4-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C21H13Cl2N7O10S2/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40)


cas: 68399-89-3
dtxsid: DTXSID3071484
formula: C24H21N3O14S4
inchikey: GKTYMBPDFIBFLS-UHFFFAOYSA-N
norman_susdat_id: NS00063599
pubchem_cid: 110141
smiles: O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC4=CC(=CC=C4C3S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)C
name:
2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-sulphonic acid

inchi:
InChI=1/C24H21N3O14S4/c1-13(28)25-16-3-5-18-15(10-16)12-21(43(32,33)34)22(23(18)29)27-26-20-7-2-14-11-17(4-6-19(14)24(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40/h2-7,10-12,29H,8-9H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40)


name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[(4-sulfophenyl)azo]phenyl]amino]-
cas: 68399-90-6
chemspiderid: 4588685
dtxsid: DTXSID8071485
formula: C26H18N4O8S2
inchikey: XXTYDIGKTZNAIK-UHFFFAOYSA-N
norman_susdat_id: NS00036572
pubchem_cid: 5485477
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccc(cc2)N=Nc2ccc(cc2)S(=O)(=O)O)cc1S(=O)(=O)O
inchi:
InChI=1S/C26H18N4O8S2/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38)/b30-29+


cas: 68399-93-9
chemspiderid: NA
formula: C28H29N5O21S6
inchikey: LCLHRCDGNXHUGI-UHFFFAOYSA-N
norman_susdat_id: NS00040741
pubchem_cid: 57354218
name:
4-amino-6-[[2,5-dimethoxy-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1S/C28H29N5O21S6/c1-51-19-14-21(56(37,38)10-8-54-60(48,49)50)20(52-2)13-18(19)31-33-27-23(58(42,43)44)12-15-11-22(57(39,40)41)26(25(29)24(15)28(27)34)32-30-16-3-5-17(6-4-16)55(35,36)9-7-53-59(45,46)47/h3-6,11-14,31H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)

smiles:
COc1cc(c(OC)cc1NN=C1C(=O)c2c(N)c(N=Nc3ccc(cc3)S(=O)(=O)CCOS(O)(=O)=O)c(cc2C=C1S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O


cas: 68399-94-0
chemspiderid: 98914
dtxsid: DTXSID20218529
formula: C22H18N2O8S2
inchikey: FDTPKQJEJXREHN-UHFFFAOYSA-N
norman_susdat_id: NS00036573
pubchem_cid: 110145
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccc(cc2)S(=O)(=O)CCO)cc1S(=O)(=O)O
name:
1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C22H18N2O8S2/c23-20-17(34(30,31)32)11-16(24-12-5-7-13(8-6-12)33(28,29)10-9-25)18-19(20)22(27)15-4-2-1-3-14(15)21(18)26/h1-8,11,24-25H,9-10,23H2,(H,30,31,32)


name: Sodium 4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]benzenesulphonate
cas: 68399-96-2
dtxsid: DTXSID30887361
formula: C24H19N3O6S
inchikey: SSQXLKTUJVKPPE-UHFFFAOYSA-M
norman_susdat_id: NS00062578
pubchem_cid: 110148
smiles: [Na+].O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])=C2O
inchi:
InChI=1/C24H19N3O6S.Na/c1-33-21-9-5-4-8-20(21)25-24(29)19-14-15-6-2-3-7-18(15)22(23(19)28)27-26-16-10-12-17(13-11-16)34(30,31)32;/h2-14,28H,1H3,(H,25,29)(H,30,31,32);/q;+1/p-1


cas: 68399-98-4
chemspiderid: 98917
dtxsid: DTXSID8071489
formula: C21H19N3O5
inchikey: LQCWXOOQZZDWCC-UHFFFAOYSA-N
norman_susdat_id: NS00020693
pubchem_cid: 110150
smiles: CCOC(=O)c1c2n([nH]c1=O)c(=O)c1cccc3c(ccc2c13)N1CCOCC1
name:
7H-Benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylic acid, 9,10-dihydro-3-(4-morpholinyl)-7,10-dioxo-, ethyl ester

inchi:
InChI=1S/C21H19N3O5/c1-2-29-21(27)17-18-13-6-7-15(23-8-10-28-11-9-23)12-4-3-5-14(16(12)13)20(26)24(18)22-19(17)25/h3-7H,2,8-11H2,1H3,(H,22,25)


cas: 68399-99-5
dtxsid: DTXSID30867587
formula: C18H13ClF3N5O3
inchikey: DZEAVLGCIUOLBY-UHFFFAOYSA-N
norman_susdat_id: NS00063617
pubchem_cid: 109335
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C(N=NC3=CC(=CC=C3Cl)C(F)(F)F)C(=O)C
name:
2-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide

inchi:
InChI=1/C18H13ClF3N5O3/c1-8(28)15(27-26-13-6-9(18(20,21)22)2-4-11(13)19)16(29)23-10-3-5-12-14(7-10)25-17(30)24-12/h2-7,15H,1H3,(H,23,29)(H2,24,25,30)


cas: 68400-00-0
dtxsid: DTXSID7071490
formula: C29H23N3O17S5
inchikey: HIJJKUHQANBAOM-UHFFFAOYSA-N
norman_susdat_id: NS00062063
pubchem_cid: 163484
name:
5-(benzoylamino)-4-hydroxy-3-[[1-sulpho-6-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C29H23N3O17S5/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48/h1-9,12-15,33H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)

smiles:
O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC4=CC(=CC=C4C3S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=CC5


cas: 68400-01-1
formula: C22H28ClN3O3S.CH2O2
inchikey: HQUNJTQGOYQYMO-UHFFFAOYSA-N
norman_susdat_id: NS00090957
smiles: CC(CN(C)C)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3.OC=O
name:
Formic acid, compound with [2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]propyl]dimethylamine (1:1)

inchi:
InChI=1/C22H28ClN3O3S.CH2O2/c1-17(16-25(2)3)29-14-15-30(27,28)21-10-8-20(9-11-21)26-13-12-22(24-26)18-4-6-19(23)7-5-18;2-1-3/h4-11,17H,12-16H2,1-3H3;1H,(H,2,3)


name: Pentapotassium pentahydrogen [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate
cas: 68400-03-3
formula: C9H28N3O15P5.5K
inchikey: WINPSFDIQBKBMF-UHFFFAOYSA-D
norman_susdat_id: NS00090873
inchi:
InChI=1/C9H28N3O15P5.5K/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;/q;5*+1/p-10

smiles:
[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Sodium 3-[[4-[(4-hydroxyphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 68400-29-3
dtxsid: DTXSID7071492
formula: C19H16N4O5S
inchikey: CHEXUCJOYNXPSM-UHFFFAOYSA-M
norman_susdat_id: NS00061868
pubchem_cid: 110166
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C(OC)=C2)C1
inchi:
InChI=1/C19H16N4O5S.Na/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13;/h2-12,24H,1H3,(H,25,26,27);/q;+1/p-1


cas: 68400-30-6
dtxsid: DTXSID50887363
formula: C38H28N8O12S2
inchikey: QOUZHYIOPHRTJE-UHFFFAOYSA-N
norman_susdat_id: NS00062371
pubchem_cid: 3017853
name:
5-[[4-[[7-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-3-hydroxy-1-sulpho-2-naphthyl]azo]-3-methoxy-7-sulpho-1-naphthyl]azo]salicylic acid

inchi:
InChI=1/C38H28N8O12S2/c1-19-33(42-39-21-6-4-3-5-7-21)37(49)46(45-19)23-10-8-20-14-31(48)35(36(26(20)16-23)60(55,56)57)44-43-34-25-12-11-24(59(52,53)54)17-27(25)29(18-32(34)58-2)41-40-22-9-13-30(47)28(15-22)38(50)51/h3-18,33,47-48H,1-2H3,(H,50,51)(H,52,53,54)(H,55,56,57)

smiles:
O=C(O)C1=CC(N=NC=2C=C(OC)C(N=NC=3C(O)=CC4=CC=C(C=C4C3S(=O)(=O)O)N5N=C(C)C(N=NC=6C=CC=CC6)C5=O)=C7C=CC(=CC27)S(=O)(=O)O)=CC=C1O


name: Bis[4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxynaphthalene-1-diazonium] sulphate
cas: 68400-32-8
dtxsid: DTXSID2071493
formula: C18H13N4O4
inchikey: PBYLPYDNZFJAQH-UHFFFAOYSA-N
norman_susdat_id: NS00061869
pubchem_cid: NA
inchi:
InChI=1/2C18H12N4O4.H2O4S/c2*1-26-16-9-14(11-4-2-3-5-12(11)17(16)20-19)22-21-10-6-7-15(23)13(8-10)18(24)25;1-5(2,3)4/h2*2-9H,1H3,(H-,22,23,24,25);(H2,1,2,3,4)

smiles:
N#[N+]C1=C(OC)C=C(N=NC2=CC=C(O)C(=C2)C(=O)O)C=3C=CC=CC13.N#[N+]C1=C(OC)C=C(N=NC2=CC=C(O)C(=C2)C(=O)O)C=3C=CC=CC13.O=S(=O)([O-])[O-]


cas: 68400-33-9
dtxsid: DTXSID80889971
formula: C37H26N8O15S2
inchikey: QWFROOTVCVGUPI-UHFFFAOYSA-J
norman_susdat_id: NS00061870
pubchem_cid: NA
name:
Tetrasodium 2,2'-[carbonylbis[imino(1-hydroxy-3-sulphonato-6,2-naphthalenediyl)azo-3,1-phenyleneimino]]bis(2-oxoacetate)

inchi:
InChI=1/C37H26N8O15S2.4Na/c46-31-25-9-7-21(11-17(25)13-27(61(55,56)57)29(31)44-42-23-5-1-3-19(15-23)38-33(48)35(50)51)40-37(54)41-22-8-10-26-18(12-22)14-28(62(58,59)60)30(32(26)47)45-43-24-6-2-4-20(16-24)39-34(49)36(52)53;;;;/h1-16,46-47H,(H,38,48)(H,39,49)(H,50,51)(H,52,53)(H2,40,41,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C(=O)NC=1C=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=CC(=C6)NC(=O)C(=O)[O-])C5O)S(=O)(=O)[O-])C1


name: Sodium [[4-[(4-hydroxyphenyl)azo]-5-methoxy-2-methylphenyl]azo]-4-benzenesulphonate
cas: 68400-34-0
dtxsid: DTXSID7071494
formula: C20H18N4O5S
inchikey: SWGDCCBVZPMYRH-UHFFFAOYSA-M
norman_susdat_id: NS00062372
pubchem_cid: 110170
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(O)C=C3)=CC2C)C=C1
inchi:
InChI=1/C20H18N4O5S.Na/c1-13-11-19(24-22-14-3-7-16(25)8-4-14)20(29-2)12-18(13)23-21-15-5-9-17(10-6-15)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1


name: 4-[(4-amino-5-methoxy-o-tolyl)azo]benzenesulphonic acid monohydrochloride
cas: 68400-35-1
formula: C14H15N3O4S.ClH
inchikey: BLQJKDFPGRNLAR-UHFFFAOYSA-N
norman_susdat_id: NS00091004
smiles: Cl.Nc1cc(C)c(cc1OC)N=Nc2ccc(cc2)S(O)(=O)=O
inchi:
InChI=1/C14H15N3O4S.ClH/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);1H


cas: 68400-36-2
formula: C36H28N8O10S2.2Na
inchikey: SSFXAWTYRYVUTP-UHFFFAOYSA-L
norman_susdat_id: NS00090874
name:
Disodium 4-amino-5-hydroxy-6-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H28N8O10S2.2Na/c1-19-15-21(3-13-28(19)40-38-25-7-11-27(45)12-8-25)22-4-14-29(20(2)16-22)41-43-35-31(56(52,53)54)18-23-17-30(55(49,50)51)34(33(37)32(23)36(35)46)42-39-24-5-9-26(10-6-24)44(47)48;;/h3-18,45-46H,37H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5)cc6


name: 7-amino-4-hydroxy-3-[[4-[2-(sulphooxy)ethoxy]phenyl]azo]naphthalene-2-sulphonic acid
cas: 68400-37-3
dtxsid: DTXSID7071496
formula: C18H17N3O9S2
inchikey: JFTFVGALCFQTMW-UHFFFAOYSA-N
norman_susdat_id: NS00063428
pubchem_cid: 110173
smiles: O=S(=O)(O)OCCOC1=CC=C(N=NC=2C(O)=C3C=CC(N)=CC3=CC2S(=O)(=O)O)C=C1
inchi:
InChI=1/C18H17N3O9S2/c19-12-1-6-15-11(9-12)10-16(31(23,24)25)17(18(15)22)21-20-13-2-4-14(5-3-13)29-7-8-30-32(26,27)28/h1-6,9-10,22H,7-8,19H2,(H,23,24,25)(H,26,27,28)


name: trisodium 7-[[4-[(4-aminophenyl)azo]phenyl]azo]naphthalene-1,3,5-trisulphonate
cas: 68400-38-4
inchikey: RERCKWQOVYFXFL-UHFFFAOYSA-K
norman_susdat_id: NS00078414
smiles:
[Na+].[Na+].[Na+].Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1cc(c2cc(cc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O


cas: 68400-39-5
dtxsid: DTXSID60889974
formula: C23H19N5O12S4
inchikey: RBZOZHMXUPXSKC-UHFFFAOYSA-J
norman_susdat_id: NS00062183
pubchem_cid: 110176
name:
Tetrasodium 7-[[4-[[4-[(sulphonatomethyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C23H19N5O12S4.4Na/c29-41(30,31)13-24-14-1-3-15(4-2-14)25-26-16-5-7-17(8-6-16)27-28-18-9-20-21(22(10-18)43(35,36)37)11-19(42(32,33)34)12-23(20)44(38,39)40;;;;/h1-12,24H,13H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C(=CC(N=NC3=CC=C(N=NC4=CC=C(C=C4)NCS(=O)(=O)[O-])C=C3)=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: Benzenesulfonic acid, 3-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-4-[(4-methylphenyl)sulfonyl]-
cas: 68400-40-8
chemspiderid: 98931
dtxsid: DTXSID2071497
formula: C28H27N3O5S2
inchikey: IJJGDLXWIBIJMW-UHFFFAOYSA-N
norman_susdat_id: NS00036577
pubchem_cid: 110178
smiles: CCN(Cc1ccccc1)c1ccc(cc1)N=Nc1c(ccc(c1)S(=O)(=O)O)S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C28H27N3O5S2/c1-3-31(20-22-7-5-4-6-8-22)24-13-11-23(12-14-24)29-30-27-19-26(38(34,35)36)17-18-28(27)37(32,33)25-15-9-21(2)10-16-25/h4-19H,3,20H2,1-2H3,(H,34,35,36)/b30-29-


name: Benzenesulfonic acid, 3-[[4-[(4-hydroxyphenyl)azo]-3-methoxyphenyl]azo]-
cas: 68400-41-9
chemspiderid: 4588688
dtxsid: DTXSID7071498
formula: C19H16N4O5S1
inchikey: BTQOIHYBALGCDD-UHFFFAOYSA-N
norman_susdat_id: NS00036578
pubchem_cid: NA
smiles: COc1c(NN=C2C=CC(=O)C=C2)ccc(c1)N=Nc1cc(ccc1)S(=O)(=O)O
inchi:
InChI=1S/C19H16N4O5S/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13/h2-12,23H,1H3,(H,25,26,27)/b22-21+


name: Sodium 2-hydroxy-5-nitro-3-[[2-oxo-1-[anilinocarbonyl]propyl]azo]benzenesulphonate
cas: 68400-42-0
formula: C16H14N4O8S.Na
inchikey: MPCVYZWRPYLYMF-UHFFFAOYSA-M
norman_susdat_id: NS00091005
smiles: [Na+].Oc2c(cc(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)[N+]([O-])=O)S([O-])(=O)=O
inchi:
InChI=1/C16H14N4O8S.Na/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,22H,1H3,(H,17,23)(H,26,27,28);/q;+1/p-1


name: 2,5-bis(1-methylethoxy)-4-(morpholino)benzenediazonium hexafluorophosphate
cas: 68400-45-3
formula: C16H24N3O3.F6P
inchikey: FNSXMWNULLSENH-UHFFFAOYSA-N
norman_susdat_id: NS00091007
smiles: CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C16H24N3O3.F6P/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;1-7(2,3,4,5)6/h9-12H,5-8H2,1-4H3;/q+1;-1


name: Benzenediazonium, 2,5-bis(1-methylethoxy)-4-(4-morpholinyl)-, tetrafluoroborate(1-)
cas: 68400-46-4
chemspiderid: 98935
dtxsid: DTXSID9071501
formula: C16H24N3O3
inchikey: KSJKLYOQRFXVSX-UHFFFAOYSA-N
norman_susdat_id: NS00036579
pubchem_cid: 110184
smiles: F[B-](F)(F)F.CC(C)Oc1cc([N+]#N)c(OC(C)C)cc1N1CCOCC1
inchi:
InChI=1S/C16H24N3O3/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17/h9-12H,5-8H2,1-4H3/q+1


name: 4-p-Tolylmercapto-2,5-diethoxynitrobenzene
cas: 68400-47-5
chemspiderid: 95264
dtxsid: DTXSID4071502
formula: C17H19N1O4S1
inchikey: JRKVBFFPQZNRRC-UHFFFAOYSA-N
norman_susdat_id: NS00036580
pubchem_cid: 110185
smiles: CCOc1cc(Sc2ccc(C)cc2)c(OCC)cc1[N+](=O)[O-]
inchi:
InChI=1S/C17H19NO4S/c1-4-21-15-11-17(23-13-8-6-12(3)7-9-13)16(22-5-2)10-14(15)18(19)20/h6-11H,4-5H2,1-3H3


name: Benzenamine, 2,5-diethoxy-4-[(4-methylphenyl)thio]-
cas: 68400-48-6
chemspiderid: 98937
dtxsid: DTXSID9071503
formula: C17H21N1O2S1
inchikey: ONYJVUIBPVYRDL-UHFFFAOYSA-N
norman_susdat_id: NS00036581
pubchem_cid: 110186
smiles: CCOc1cc(N)c(OCC)cc1Sc1ccc(C)cc1
inchi:
InChI=1S/C17H21NO2S/c1-4-19-15-11-17(16(20-5-2)10-14(15)18)21-13-8-6-12(3)7-9-13/h6-11H,4-5,18H2,1-3H3


name: Morpholine, 4-[2,5-bis(1-methylethoxy)-4-nitrophenyl]-
cas: 68400-49-7
chemspiderid: 89045
dtxsid: DTXSID4071504
formula: C16H24N2O5
inchikey: QKOQWHQAZFRCQI-UHFFFAOYSA-N
norman_susdat_id: NS00036582
pubchem_cid: 110187
smiles: CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+](=O)[O-]
inchi:
InChI=1S/C16H24N2O5/c1-11(2)22-15-10-14(18(19)20)16(23-12(3)4)9-13(15)17-5-7-21-8-6-17/h9-12H,5-8H2,1-4H3


name: 1,1'-Biphenyl, 4-(hexyloxy)-4'-pentyl-
cas: 68400-50-0
chemspiderid: 98939
dtxsid: DTXSID9071505
formula: C23H32O1
inchikey: MUNIEHKBAUCEJL-UHFFFAOYSA-N
norman_susdat_id: NS00036583
pubchem_cid: 110188
smiles: CCCCCCOc1ccc(cc1)c1ccc(CCCCC)cc1
inchi:
InChI=1S/C23H32O/c1-3-5-7-9-19-24-23-17-15-22(16-18-23)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3


name: 2-hydroxy-2-methyl-7-phenylpentadecan-3-one
cas: 68400-53-3
dtxsid: DTXSID70887365
formula: C22H36O2
inchikey: NRQOJDAHMFRJKC-UHFFFAOYSA-N
norman_susdat_id: NS00062373
pubchem_cid: 109338
smiles: O=C(CCCC(C=1C=CC=CC1)CCCCCCCC)C(O)(C)C
inchi:
InChI=1/C22H36O2/c1-4-5-6-7-8-10-14-20(19-15-11-9-12-16-19)17-13-18-21(23)22(2,3)24/h9,11-12,15-16,20,24H,4-8,10,13-14,17-18H2,1-3H3


name: Disodium [[4-[(4-amino-7-sulphonato-1-naphthyl)azo]phenyl]amino]oxoacetate
cas: 68400-55-5
dtxsid: DTXSID9071509
formula: C18H14N4O6S
inchikey: HFACPUGPODJWNB-UHFFFAOYSA-L
norman_susdat_id: NS00063485
pubchem_cid: 21118600
smiles: [Na+].[Na+].O=C([O-])C(=O)NC1=CC=C(N=NC2=CC=C(N)C=3C=CC(=CC23)S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C18H14N4O6S.2Na/c19-15-7-8-16(14-9-12(29(26,27)28)5-6-13(14)15)22-21-11-3-1-10(2-4-11)20-17(23)18(24)25;;/h1-9H,19H2,(H,20,23)(H,24,25)(H,26,27,28);;/q;2*+1/p-2


cas: 68400-56-6
dtxsid: DTXSID20889975
formula: C38H25N7O13S3
inchikey: GLGOIULIXYAJLJ-UHFFFAOYSA-K
norman_susdat_id: NS00062234
pubchem_cid: NA
name:
Trisodium hydrogen [[4-[[4-[[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]phenyl]amino]oxoacetate

inchi:
InChI=1/C38H25N7O13S3.3Na.H2/c46-36-27-4-2-1-3-26(27)35(61(56,57)58)19-34(36)45-43-31-14-16-33(29-18-23(60(53,54)55)10-12-25(29)31)44-42-30-13-15-32(28-17-22(59(50,51)52)9-11-24(28)30)41-40-21-7-5-20(6-8-21)39-37(47)38(48)49;;;;/h1-19,46H,(H,39,47)(H,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;1H/q;4*+1/p-4

smiles:
[H+].[Na+].[Na+].[Na+].O=C([O-])C(=O)NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4O)S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])C=7C=CC(=CC27)S(=O)(=O)[O-])C=C1


name: Octadecanamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
cas: 68400-57-7
chemspiderid: 95269
dtxsid: DTXSID8071510
formula: C22H45N1O4
inchikey: LQRFVSAFANRBHO-UHFFFAOYSA-N
norman_susdat_id: NS00036587
pubchem_cid: 110194
smiles: CCCCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CO
inchi:
InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)23-22(18-24,19-25)20-26/h24-26H,2-20H2,1H3,(H,23,27)


name: Benzyldimethyl[3-[(1-oxooleyl)amino]propyl]ammonium chloride
cas: 68400-58-8
dtxsid: DTXSID30887366
formula: C30H53N2O
inchikey: WFGZPNYNBFKOOW-AFEZEDKISA-N
norman_susdat_id: NS00061927
pubchem_cid: 20838894
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=1C=CC=CC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C30H52N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h11-12,18-20,23-24H,4-10,13-17,21-22,25-28H2,1-3H3;1H


cas: 68400-67-9
norman_susdat_id: NS00112867
name:
1,3-Butanediol, polymer with ?-butyl-?-hydroxypoly[oxy(methyl-1,2-ethanediyl)] and 1,3-diisocyanatomethylbenzene


cas: 68400-76-0
formula: C6H18NO12P3
norman_susdat_id: NS00101730
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.''-(nitrilotri-2,1-ethanediyl)tris[.omega.-(phosphonooxy)-, monosodium salt


name: Ceftizoxime
cas: 68401-81-0
chebiid: CHEBI:553473
chemspiderid: 5018818
dtxsid: DTXSID5022772
formula: C13H13N5O5S2
inchikey: NNULBSISHYWZJU-LLKWHZGFSA-N
norman_susdat_id: NS00011562
pubchem_cid: 6533629
smiles: CO/N=C(/c1csc(n1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O
inchi:
InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1


cas: 68406-52-0
formula: C56H98O12Sn
inchikey: GDVHSVSYIHQDJN-NUJFUEHTSA-K
norman_susdat_id: NS00061929
pubchem_cid: 53436573
smiles: O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCC
name:
Dodecyl (Z,Z,Z)-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate

inchi:
InChI=1/3C16H28O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-8H2,2H3;/q;;;;+3/p-3/rC56H98O12Sn/c1-5-9-13-17-21-24-27-30-33-37-47-63-51(57)41-44-54(60)66-69(50-40-36-20-16-12-8-4,67-55(61)45-42-52(58)64-48-38-34-31-28-25-22-18-14-10-6-2)68-56(62)46-43-53(59)65-49-39-35-32-29-26-23-19-15-11-7-3/h41-46H,5-40,47-50H2,1-4H3


name: Benzoic acid, dodecyl ester
cas: 68411-27-8
chemspiderid: 68687
dtxsid: DTXSID1062706
formula: C19H30O2
inchikey: DLAHAXOYRFRPFQ-UHFFFAOYSA-N
norman_susdat_id: NS00013421
pubchem_cid: 76204
smiles: CCCCCCCCCCCCOC(=O)c1ccccc1
inchi:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3


name: Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts
cas: 68411-30-3
dtxsid: DTXSID3029784
formula: C17H28O3S
inchikey: BBXSRNGXHHCIMV-UHFFFAOYSA-M
norman_susdat_id: NS00063488
pubchem_cid: 38222
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)CCCCCCCCCCC
inchi:
InChI=1/C17H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20;/h12-15H,2-11H2,1H3,(H,18,19,20);/q;+1/p-1


name: Benzenesulfonic acid, dodecyl-, branched
cas: 68411-32-5
dtxsid: DTXSID3028475
formula: C18H30O3S
inchikey: SXWJDOBQKMUGSE-UHFFFAOYSA-N
norman_susdat_id: NS00066530
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(C=C1)CCCCCCC(CC)CCC
inchi:
InChI=1/C18H30O3S/c1-3-9-16(4-2)10-7-5-6-8-11-17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)


name: Ethanol, 2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester)
cas: 68413-42-3
chemspiderid: 98954
dtxsid: DTXSID8071512
formula: C21H23Cl1N4O6
inchikey: BDAQFSJXVZDVGC-UHFFFAOYSA-N
norman_susdat_id: NS00036588
pubchem_cid: 110205
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C21H23ClN4O6/c1-14-12-17(25(8-10-31-15(2)27)9-11-32-16(3)28)4-6-20(14)23-24-21-7-5-18(26(29)30)13-19(21)22/h4-7,12-13H,8-11H2,1-3H3/b24-23+


name: Potassium 16-methylheptadecanoate
cas: 68413-46-7
formula: C18H36O2.K
inchikey: NGNZTXNWCGRXKL-UHFFFAOYSA-M
norman_susdat_id: NS00091056
smiles: [K+].CC(C)CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.K/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h17H,3-16H2,1-2H3,(H,19,20);/q;+1/p-1


name: Dibutyl [(dipropoxyphosphinothioyl)thio]succinate
cas: 68413-47-8
dtxsid: DTXSID50867605
formula: C18H35O6PS2
inchikey: HSVNXSQHXKNAOX-UHFFFAOYSA-N
norman_susdat_id: NS00061772
pubchem_cid: 109346
smiles: O=C(OCCCC)CC(SP(=S)(OCCC)OCCC)C(=O)OCCCC
inchi:
InChI=1/C18H35O6PS2/c1-5-9-13-21-17(19)15-16(18(20)22-14-10-6-2)27-25(26,23-11-7-3)24-12-8-4/h16H,5-15H2,1-4H3


name: Dibutyl [[bis[(2-ethylhexyl)oxy]phosphinothioyl]thio]succinate
cas: 68413-48-9
dtxsid: DTXSID10867606
formula: C28H55O6PS2
inchikey: DHEMFBSSQAFTOU-UHFFFAOYSA-N
norman_susdat_id: NS00063339
pubchem_cid: 109347
smiles: O=C(OCCCC)CC(SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)C(=O)OCCCC
inchi:
InChI=1/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3


name: [3-(4-dodecylphenoxy)-2-hydroxypropyl]trimethylammonium chloride
cas: 68413-50-3
dtxsid: DTXSID90887367
formula: C24H44NO2
inchikey: QJSUWTKXJNVMQU-UHFFFAOYSA-M
norman_susdat_id: NS00062084
pubchem_cid: 109348
smiles: [Cl-].OC(COC1=CC=C(C=C1)CCCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C24H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-22-16-18-24(19-17-22)27-21-23(26)20-25(2,3)4;/h16-19,23,26H,5-15,20-21H2,1-4H3;1H/q+1;/p-1


cas: 68413-51-4
dtxsid: DTXSID80889976
formula: C38H40N12O14S4
inchikey: RZQYLDRJOVNEAS-GWIKJDHCSA-J
norman_susdat_id: NS00061773
pubchem_cid: NA
name:
Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C38H40N12O14S4.4Na/c1-49(15-17-51)37-45-33(39-25-5-3-7-29(19-25)65(53,54)55)43-35(47-37)41-27-13-11-23(31(21-27)67(59,60)61)9-10-24-12-14-28(22-32(24)68(62,63)64)42-36-44-34(46-38(48-36)50(2)16-18-52)40-26-6-4-8-30(20-26)66(56,57)58;;;;/h3-14,19-22,51-52H,15-18H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC=2N=C(N=C(N2)N(C)CCO)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC5=NC(=NC(=N5)N(C)CCO)NC6=CC=CC(=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 68413-52-5
dtxsid: DTXSID50868197
formula: C32H21ClF2N6O11S3
inchikey: XGPZSWLJLFDEDC-UHFFFAOYSA-N
norman_susdat_id: NS00062085
pubchem_cid: 163371
name:
5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulpho-2-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C32H21ClF2N6O11S3/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-20-19(16)9-10-21(28(20)55(50,51)52)40-41-26-23(54(47,48)49)12-17-11-18(53(44,45)46)13-22(24(17)27(26)42)37-31(43)15-5-2-1-3-6-15/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)

smiles:
O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C4C(C=CC=C4CNC=5N=C(F)N=C(F)C5Cl)=C3S(=O)(=O)O)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC6


cas: 68413-53-6
formula: C26H18ClF2N5O8S2
inchikey: JMKBMSGQZSPJOC-UHFFFAOYSA-N
norman_susdat_id: NS00091067
smiles: Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)O)c(c1)S(=O)(=O)O
name:
1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1/C26H18ClF2N5O8S2/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42)


name: Sodium 4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]benzenesulphonate
cas: 68413-55-8
dtxsid: DTXSID3071515
formula: C12H13ClN4O4S
inchikey: PCFGYUGKFQKSFT-UHFFFAOYSA-M
norman_susdat_id: NS00062295
pubchem_cid: 110212
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC=2N=C(Cl)N=C(N2)OC(C)C
inchi:
InChI=1/C12H13ClN4O4S.Na/c1-7(2)21-12-16-10(13)15-11(17-12)14-8-3-5-9(6-4-8)22(18,19)20;/h3-7H,1-2H3,(H,18,19,20)(H,14,15,16,17);/q;+1/p-1


name: 2,4-dimethoxybenzenediazonium trichlorozincate
cas: 68413-58-1
formula: C8H9N2O2.Cl3Zn
inchikey: GHDAKWHMAJQQJP-UHFFFAOYSA-K
norman_susdat_id: NS00091613
smiles: COc1ccc([N+]#N)c(OC)c1.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C8H9N2O2.3ClH.Zn/c1-11-6-3-4-7(10-9)8(5-6)12-2;;;;/h3-5H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H9N2O2.Cl3Zn/c1-11-6-3-4-7(10-9)8(5-6)12-2;1-4(2)3/h3-5H,1-2H3;/q+1;-1


name: 2,5-dimethoxybenzenediazonium trichlorozincate
cas: 68413-59-2
formula: C8H9N2O2.Cl3Zn
inchikey: RKIQAZLRSVQSSD-UHFFFAOYSA-K
norman_susdat_id: NS00091614
smiles: COc1ccc(OC)c(c1)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C8H9N2O2.3ClH.Zn/c1-11-6-3-4-8(12-2)7(5-6)10-9;;;;/h3-5H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H9N2O2.Cl3Zn/c1-11-6-3-4-8(12-2)7(5-6)10-9;1-4(2)3/h3-5H,1-2H3;/q+1;-1


name: 3-chloro-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)
cas: 68413-62-7
formula: C10H11ClN3.1/2Cl4Zn
inchikey: NAAKVPXGKFMVNM-UHFFFAOYSA-J
norman_susdat_id: NS00090823
smiles: Clc1cc(ccc1N2CCCC2)[N+]#N.Clc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H11ClN3.4ClH.Zn/c2*11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;;;;;/h2*3-4,7H,1-2,5-6H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H11ClN3.Cl4Zn/c2*11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;1-5(2,3)4/h2*3-4,7H,1-2,5-6H2;/q2*+1;-2


name: 3-chloro-4-(dimethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 68413-63-8
formula: C8H9ClN3.1/2Cl4Zn
inchikey: NSOVLJMVGDUGAB-UHFFFAOYSA-J
norman_susdat_id: NS00090824
smiles: CN(C)c1ccc(cc1Cl)[N+]#N.CN(C)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C8H9ClN3.4ClH.Zn/c2*1-12(2)8-4-3-6(11-10)5-7(8)9;;;;;/h2*3-5H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H9ClN3.Cl4Zn/c2*1-12(2)8-4-3-6(11-10)5-7(8)9;1-5(2,3)4/h2*3-5H,1-2H3;/q2*+1;-2


name: 2,5-bis(1-methylethoxy)-4-(morpholino)benzenediazonium tetrachlorozincate (2:1)
cas: 68413-64-9
formula: C16H24N3O3.1/2Cl4Zn
inchikey: OWOOUJPHMVDWMS-UHFFFAOYSA-J
norman_susdat_id: NS00090825
smiles: CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N.CC(C)Oc3cc(N4CCOCC4)c(OC(C)C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C16H24N3O3.4ClH.Zn/c2*1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;;;;;/h2*9-12H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C16H24N3O3.Cl4Zn/c2*1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;1-5(2,3)4/h2*9-12H,5-8H2,1-4H3;/q2*+1;-2


name: Sodium 9-(sulphooxy)octadecanoate
cas: 68413-72-9
formula: C18H36O6S.xNa
inchikey: LBBMGWMTZMVZCT-UHFFFAOYSA-M
norman_susdat_id: NS00090852
smiles: [Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)O
inchi:
InChI=1/C18H36O6S.Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1


cas: 68413-84-3
chemspiderid: 98970
dtxsid: DTXSID7071523
formula: C32H62N6O7
inchikey: KQVFVDOZFFPYHG-UHFFFAOYSA-N
norman_susdat_id: NS00036593
pubchem_cid: 110225
smiles: CCCCCCCCCCCCCCCCCC(=O)OCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC
name:
Octadecanoic acid, [[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl ester

inchi:
InChI=1S/C32H62N6O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(39)45-28-38(27-44-6)32-34-30(36(23-40-2)24-41-3)33-31(35-32)37(25-42-4)26-43-5/h7-28H2,1-6H3


name: 2,3-Quinoxalinediamine, 6-chloro-N,N'-diphenyl-
cas: 68413-85-4
chemspiderid: 98971
dtxsid: DTXSID2071524
formula: C20H15Cl1N4
inchikey: FAWDYLYVVKBRJB-UHFFFAOYSA-N
norman_susdat_id: NS00036594
pubchem_cid: 110226
smiles: Clc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
inchi:
InChI=1S/C20H15ClN4/c21-14-11-12-17-18(13-14)25-20(23-16-9-5-2-6-10-16)19(24-17)22-15-7-3-1-4-8-15/h1-13H,(H,22,24)(H,23,25)


name: 4-(diethylamino)-2-ethoxybenzenediazonium hexafluorophosphate
cas: 68413-86-5
formula: C12H18N3O.F6P
inchikey: FDLDJYIQUMDJDF-UHFFFAOYSA-N
norman_susdat_id: NS00090978
smiles: CCOc1cc(ccc1[N+]#N)N(CC)CC.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C12H18N3O.F6P/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;1-7(2,3,4,5)6/h7-9H,4-6H2,1-3H3;/q+1;-1


name: 2-[2-chloro-2-(2-thienyl)vinyl]-3-ethyl-5-methoxybenzoselenazolium chloride
cas: 68413-87-6
formula: C16H15ClNOSSe.Cl
inchikey: QKAIGMPYDMMLEB-BBJSDXRSSA-M
norman_susdat_id: NS00090979
smiles: [Cl-].CC[N+]1=C([Se]c2ccc(OC)cc12)\C=C(/Cl)\c3cccs3
inchi:
InChI=1/C16H15ClNOSSe.ClH/c1-3-18-13-9-11(19-2)6-7-15(13)21-16(18)10-12(17)14-5-4-8-20-14;/h4-10H,3H2,1-2H3;1H/q+1;/p-1


name: 1,2-dimethyl-3-(3-sulphonatopropyl)-5-(trifluoromethyl)-1H-benzimidazolium sodium chloride
cas: 68413-90-1
formula: C13H17F3N2O3S
inchikey: RMWLSAIWEOIULK-UHFFFAOYSA-M
norman_susdat_id: NS00062160
pubchem_cid: NA
smiles: [Na+].[Cl-].O=S(=O)([O-])CCCN1C2=CC(=CC=C2[NH+](C)C1C)C(F)(F)F
inchi:
InChI=1/C13H17F3N2O3S.ClH.Na/c1-9-17(2)11-5-4-10(13(14,15)16)8-12(11)18(9)6-3-7-22(19,20)21;;/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20,21);1H;/q;;+1/p-1


name: Sodium a-hydroxy-3,4-dimethoxytoluene-a-sulphonate
cas: 68413-92-3
formula: C9H12O6S.Na
inchikey: AEPVNIIEAIDSSS-UHFFFAOYSA-M
norman_susdat_id: NS00091638
smiles: [Na+].COc1ccc(cc1OC)C(O)S(=O)(=O)[O-]
inchi:
InChI=1/C9H12O6S.Na/c1-14-7-4-3-6(5-8(7)15-2)9(10)16(11,12)13;/h3-5,9-10H,1-2H3,(H,11,12,13);/q;+1/p-1


name: (Z)-2,2'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(oxy)]bis[2-octyl-1,3,2-dioxastannepin-4,7-dione]
cas: 68420-14-4
formula: C28H40O12Sn2
inchikey: URJITOLRUFWZLN-DCVDYEDCSA-H
norman_susdat_id: NS00061818
pubchem_cid: 53447341
smiles: O=C1O[Sn](OC(=O)C=C1)(OC(=O)C=CC(=O)O[Sn]2(OC(=O)C=CC(=O)O2)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.3C4H4O4.2Sn/c2*1-3-5-7-8-6-4-2;3*5-3(6)1-2-4(7)8;;/h2*1,3-8H2,2H3;3*1-2H,(H,5,6)(H,7,8);;/q;;;;;2*+3/p-6/rC28H40O12Sn2/c1-3-5-7-9-11-13-21-41(35-23(29)15-16-24(30)36-41)39-27(33)19-20-28(34)40-42(22-14-12-10-8-6-4-2)37-25(31)17-18-26(32)38-42/h15-20H,3-14,21-22H2,1-2H3


cas: 68420-16-6
formula: C32H49O12Sn
inchikey: GEHDZTCMBBCYTR-OZITUSCZSA-L
norman_susdat_id: NS00062321
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C=CC(=O)OCCCC)C(CC)CCCCCOC(=O)C=CC(=O)OCCCC)C=CC(=O)OCCCC
name:
Butyl (Z,Z,Z)-6-[(4-butoxy-1,4-dioxobut-2-enyl)oxy]oct-6-yl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate

inchi:
InChI=1/C16H27O4.2C8H12O4.Sn/c1-3-5-7-8-9-10-14-20-16(18)12-11-15(17)19-13-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h5,11-12H,3-4,6-10,13-14H2,1-2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;+3/p-2/rC32H49O12Sn/c1-5-9-22-39-27(33)16-17-28(34)42-25-14-12-13-15-26(8-4)45(43-31(37)20-18-29(35)40-23-10-6-2)44-32(38)21-19-30(36)41-24-11-7-3/h16-21,26H,5-15,22-25H2,1-4H3/q+1


name: Barium 5-[(dimethylphenyl)azo]-6-hydroxynaphthalene-2-sulphonate
cas: 68422-67-3
formula: C18H16N2O4S.1/2Ba
inchikey: BZTOGTMMXIBPKK-UHFFFAOYSA-L
norman_susdat_id: NS00091084
inchi:
InChI=1/2C18H16N2O4S.Ba/c2*1-11-4-3-5-16(12(11)2)19-20-18-15-8-7-14(25(22,23)24)10-13(15)6-9-17(18)21;/h2*3-10,21H,1-2H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ba+2].[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2.[O-]S(=O)(=O)c2cc3ccc(O)c(N=Nc1cccc(C)c1C)c3cc2


name: HYDROGENATED PEA- NUT OIL
cas: 68425-36-5
chemspiderid: 14322440
formula: C30H45N9O5
inchikey: UEVAHGMTRWGMTB-UHFFFAOYSA-N
norman_susdat_id: NS00013747
pubchem_cid: 14444332
smiles: NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O
inchi:
InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1


name: Phosphoric acid, octadecyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 68425-56-9
formula: -
inchikey: HHWADTQVDUQGSB-UHFFFAOYSA-N
norman_susdat_id: NS00091241
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C18H39O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;8-4-1-7(2-5-9)3-6-10/h2-18H2,1H3,(H2,19,20,21);8-10H,1-6H2


name: Ammonium diisopropylnaphthalenesulphonate
cas: 68425-60-5
formula: C16H20O3S.H3N
inchikey: CCIFHODZBDSCOI-UHFFFAOYSA-N
norman_susdat_id: NS00091242
smiles: [NH4+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C16H20O3S.H3N/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);1H3


name: Phosphoric acid, 2-ethylhexyl ester, compd. with 2-aminoethanol
cas: 68425-72-9
formula: -
inchikey: TZFAFCBACSPDPK-UHFFFAOYSA-N
norman_susdat_id: NS00091752
smiles: CCCCC(CC)COP(=O)(O)O.NCCO
inchi:
InChI=1/C8H19O4P.C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);4H,1-3H2


name: N,N'-ethane-1,2-diylbisoctacosanamide
cas: 68425-95-6
formula: C58H116N2O2
inchikey: LRTGNJNPQZYCSX-UHFFFAOYSA-N
norman_susdat_id: NS00062656
pubchem_cid: 54049284
smiles: O=C(NCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C58H116N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57(61)59-55-56-60-58(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3,(H,59,61)(H,60,62)


name: Dioctyl 2,4,4-trimethyladipate
cas: 68425-96-7
dtxsid: DTXSID00887378
formula: C25H48O4
inchikey: PZUFQXFABCHDMT-UHFFFAOYSA-N
norman_susdat_id: NS00062448
pubchem_cid: 109359
smiles: O=C(OCCCCCCCC)CC(C)(C)CC(C(=O)OCCCCCCCC)C
inchi:
InChI=1/C25H48O4/c1-6-8-10-12-14-16-18-28-23(26)21-25(4,5)20-22(3)24(27)29-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3


name: 1-decyl 6-octyl 2,4,4-trimethyladipate
cas: 68425-97-8
dtxsid: DTXSID60887379
formula: C27H52O4
inchikey: UJWASZQDZMOHER-UHFFFAOYSA-N
norman_susdat_id: NS00063650
pubchem_cid: 109360
smiles: O=C(OCCCCCCCC)CC(C)(C)CC(C(=O)OCCCCCCCCCC)C
inchi:
InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-19-21-31-26(29)24(3)22-27(4,5)23-25(28)30-20-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3


cas: 68425-99-0
dtxsid: DTXSID30887381
formula: C30H38N6O2
inchikey: UUVJJYOTIWVOBC-UHFFFAOYSA-N
norman_susdat_id: NS00062467
pubchem_cid: 21118499
smiles: O=C(NCC1(C)CC(NC(=O)N2C(=NCC2)C=3C=CC=CC3)CC(C)(C)C1)N4C(=NCC4)C=5C=CC=CC5
name:
N-[3-[[[(4,5-dihydro-2-phenyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-2-phenyl-1H-imidazole-1-carboxamide

inchi:
InChI=1/C30H38N6O2/c1-29(2)18-24(34-28(38)36-17-15-32-26(36)23-12-8-5-9-13-23)19-30(3,20-29)21-33-27(37)35-16-14-31-25(35)22-10-6-4-7-11-22/h4-13,24H,14-21H2,1-3H3,(H,33,37)(H,34,38)


cas: 68426-00-6
dtxsid: DTXSID90887382
formula: C45H75N9O9
inchikey: IWLXSRAMOWLNEW-UHFFFAOYSA-N
norman_susdat_id: NS00062188
pubchem_cid: 21156006
name:
1,3,5-tris[[5-[[[(isopropylideneamino)oxy]carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

inchi:
InChI=1/C45H75N9O9/c1-28(2)49-61-34(55)46-31-16-40(7,8)22-43(13,19-31)25-52-37(58)53(26-44(14)20-32(17-41(9,10)23-44)47-35(56)62-50-29(3)4)39(60)54(38(52)59)27-45(15)21-33(18-42(11,12)24-45)48-36(57)63-51-30(5)6/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)

smiles:
O=C(ON=C(C)C)NC1CC(C)(C)CC(C)(CN2C(=O)N(C(=O)N(C2=O)CC3(C)CC(NC(=O)ON=C(C)C)CC(C)(C)C3)CC4(C)CC(NC(=O)ON=C(C)C)CC(C)(C)C4)C1


name: Didecyl 2,2,4-trimethyladipate
cas: 68426-01-7
dtxsid: DTXSID50887383
formula: C29H56O4
inchikey: ULIAJZKJMGCSRB-UHFFFAOYSA-N
norman_susdat_id: NS00062468
pubchem_cid: 109363
smiles: O=C(OCCCCCCCCCC)CC(C)CC(C(=O)OCCCCCCCCCC)(C)C
inchi:
InChI=1/C29H56O4/c1-6-8-10-12-14-16-18-20-22-32-27(30)24-26(3)25-29(4,5)28(31)33-23-21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3


cas: 68426-04-0
dtxsid: DTXSID10887384
formula: C32H42N6O2
inchikey: IKJUCDPTNAAYLC-UHFFFAOYSA-N
norman_susdat_id: NS00062189
pubchem_cid: 21118502
smiles: O=C(NCC1(C)CC(NC(=O)N2C(=NC(C)C2)C=3C=CC=CC3)CC(C)(C)C1)N4C(=NC(C)C4)C=5C=CC=CC5
name:
N-[3-[[[(4,5-dihydro-4-methyl-2-phenyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-4-methyl-2-phenyl-1H-imidazole-1-carboxamide

inchi:
InChI=1/C32H42N6O2/c1-22-18-37(27(34-22)24-12-8-6-9-13-24)29(39)33-21-32(5)17-26(16-31(3,4)20-32)36-30(40)38-19-23(2)35-28(38)25-14-10-7-11-15-25/h6-15,22-23,26H,16-21H2,1-5H3,(H,33,39)(H,36,40)


name: Potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate(1:2)
cas: 68427-33-8
formula: C12H6O6S.1/2K
inchikey: WISMPEPAQJAGRY-UHFFFAOYSA-L
norman_susdat_id: NS00091765
smiles: [KH].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23.[O-]S(=O)(=O)c4ccc5C(=O)OC(=O)c6cccc4c56
inchi:
InChI=1/2C12H6O6S.K.H/c2*13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;;/h2*1-5H,(H,15,16,17);;/q;;+1;/p-2/r2C12H6O6S.HK/c2*13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h2*1-5H,(H,15,16,17);1H/q;;+1/p-2


name: Potassium tetrasodium hydrogen bis[4-sulphonatonaphthalene-1,8-dicarboxylate]
cas: 68427-34-9
dtxsid: DTXSID70988048
formula: C12H8O7S
inchikey: BXPXEECBLQNEND-UHFFFAOYSA-H
norman_susdat_id: NS00062657
pubchem_cid: 110248
inchi:
InChI=1/2C12H8O7S.K.4Na/c2*13-11(14)7-3-1-2-6-9(20(17,18)19)5-4-8(10(6)7)12(15)16;;;;;/h2*1-5H,(H,13,14)(H,15,16)(H,17,18,19);;;;;/q;;5*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[K+].O=C([O-])C1=CC=CC=2C(=CC=C(C(=O)[O-])C12)S(=O)(=O)[O-].O=C([O-])C1=CC=CC=2C(=CC=C(C(=O)[O-])C12)S(=O)(=O)[O-]


name: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonamide
cas: 68427-35-0
dtxsid: DTXSID6041476
formula: C20H19N3O5S
inchikey: SDUIURJVOCHJCO-UHFFFAOYSA-N
norman_susdat_id: NS00063666
pubchem_cid: 62249
smiles: O=C1OC2=CC(=CC=C2C=C1C3=NC4=CC(=CC=C4O3)S(=O)(=O)N)N(CC)CC
inchi:
InChI=1/C20H19N3O5S/c1-3-23(4-2)13-6-5-12-9-15(20(24)28-18(12)10-13)19-22-16-11-14(29(21,25)26)7-8-17(16)27-19/h5-11H,3-4H2,1-2H3,(H2,21,25,26)


name: Ammonium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazole-5-sulphonate
cas: 68427-37-2
dtxsid: DTXSID10887389
formula: C20H18N2O6S
inchikey: RFMJEJCQFWMDAM-UHFFFAOYSA-N
norman_susdat_id: NS00061974
pubchem_cid: 110250
smiles: O=C1OC2=CC(=CC=C2C=C1C3=NC4=CC(=CC=C4O3)S(=O)(=O)[O-])N(CC)CC.[NH4+]
inchi:
InChI=1/C20H18N2O6S.H3N/c1-3-22(4-2)13-6-5-12-9-15(20(23)28-18(12)10-13)19-21-16-11-14(29(24,25)26)7-8-17(16)27-19;/h5-11H,3-4H2,1-2H3,(H,24,25,26);1H3


name: Dodicin
cas: 6843-97-6
chemspiderid: 21772
dtxsid: DTXSID9058159
formula: C18H39N3O2
inchikey: FSKNXCHJIFBRBT-UHFFFAOYSA-N
norman_susdat_id: NS00003377
pubchem_cid: 23280
smiles: CCCCCCCCCCCCNCCNCCNCC(O)=O
inchi:
InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)


name: 1,8-dihydroxydinitroanthraquinone
cas: 68437-03-6
dtxsid: DTXSID20988053
formula: C14H8N2O8
inchikey: ZCRVFYDOGREPHB-UHFFFAOYSA-N
norman_susdat_id: NS00063227
pubchem_cid: 16205213
smiles: O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C(C(=CC13)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C14H6N2O8/c17-8-3-1-2-5-9(8)13(19)10-6(12(5)18)4-7(15(21)22)11(14(10)20)16(23)24/h1-4,17,20H


name: Disodium 4-hydroxy-3-phenylazo-5-((p-tolyl)sulphonylamino)naphthalene-2,7-disulphonate
cas: 6844-74-2
dtxsid: DTXSID1041710
formula: C23H19N3O9S3
inchikey: MHEPHJHRLWJBBX-UHFFFAOYSA-L
norman_susdat_id: NS00045187
pubchem_cid: 62623
inchi:
InChI=1/C23H19N3O9S3.2Na/c1-14-7-9-17(10-8-14)36(28,29)26-19-13-18(37(30,31)32)11-15-12-20(38(33,34)35)22(23(27)21(15)19)25-24-16-5-3-2-4-6-16;;/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3)C(O)=C2C(=C1)NS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)[O-]


cas: 68440-70-0
dtxsid: DTXSID1098418
norman_susdat_id: NS00075980
name:
Siloxanes and Silicones, di-Me, hydroxy-terminated, reaction products with chlorotrimethylsilane, hydrochloric acid, iso-Pr alc. and sodium silicate


cas: 68441-62-3
norman_susdat_id: NS00113389
name:
2-Butyne-1,4-diol, polymer with 2-(chloromethyl)oxirane, brominated, dehydrochlorinated, methoxylated


cas: 68442-00-2
formula: C26H51N3O2
norman_susdat_id: NS00101824
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[[2-[4,5-dihydro-2-(8-heptadecenyl)-1H-imidazol-1-yl]ethyl]imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: 4-(1-Phenylethyl)-N-[4-(1-phenylethyl)phenyl]aniline
cas: 68442-68-2
chemspiderid: 11003
formula: C28H27N1
inchikey: BRWSDEFCJGIRLV-UHFFFAOYSA-N
norman_susdat_id: NS00015585
pubchem_cid: 108418
smiles: CC(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)C4=CC=CC=C4
inchi:
InChI=1S/C28H27N/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)29-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22,29H,1-2H3


name: 9-Octadecenoic acid (Z)-, sulfonated, sodium salts
cas: 68443-05-0
formula: -
inchikey: OADKKJSQXULVPS-ODZAUARKSA-M
norman_susdat_id: NS00091734
smiles: [Na+].OC(=O)CCCCCCC\C=C/CCCCCCCCS(=O)(=O)[O-]
inchi:
InChI=1/C18H34O5S.Na/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23;/h1-2H,3-17H2,(H,19,20)(H,21,22,23);/q;+1/p-1


name: Bis[4-(1-methyl-1-phenylethyl)phenyl] glutarate
cas: 68443-33-4
dtxsid: DTXSID40887392
formula: C35H36O4
inchikey: ZZWYQFFAXIHVRM-UHFFFAOYSA-N
norman_susdat_id: NS00062353
pubchem_cid: 110266
smiles: O=C(OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)CCCC(=O)OC3=CC=C(C=C3)C(C=4C=CC=CC4)(C)C
inchi:
InChI=1/C35H36O4/c1-34(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38-32(36)16-11-17-33(37)39-31-24-20-29(21-25-31)35(3,4)27-14-9-6-10-15-27/h5-10,12-15,18-25H,11,16-17H2,1-4H3


name: 1-benzyloxy-4-(1-methyl-1-phenylethyl)benzene
cas: 68443-34-5
dtxsid: DTXSID00887393
formula: C22H22O
inchikey: IZLBYQPKAHATAF-UHFFFAOYSA-N
norman_susdat_id: NS00062560
pubchem_cid: 110267
smiles: O(C1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)CC=3C=CC=CC3
inchi:
InChI=1/C22H22O/c1-22(2,19-11-7-4-8-12-19)20-13-15-21(16-14-20)23-17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3


cas: 68443-43-6
chemspiderid: 98339
dtxsid: DTXSID0071540
formula: C46H66O10
inchikey: XLWCDUFQDYZSAZ-UHFFFAOYSA-N
norman_susdat_id: NS00036599
pubchem_cid: 109377
smiles: CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC
name:
1,2-Benzenedicarboxylic acid, 2-ethyl-2-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl didecyl ester

inchi:
InChI=1S/C46H66O10/c1-6-9-11-13-15-17-19-25-31-52-42(48)37-27-21-23-29-39(37)44(50)55-34-46(8-3,33-54-41(47)36(4)5)35-56-45(51)40-30-24-22-28-38(40)43(49)53-32-26-20-18-16-14-12-10-7-2/h21-24,27-30H,4,6-20,25-26,31-35H2,1-3,5H3


name: 1,1',1'',1'''-(1,3,5-trimethyl-7-methyleneheptane-1,3,5,7-tetrayl)tetrabenzene
cas: 68443-60-7
dtxsid: DTXSID80887396
formula: C35H38
inchikey: OHRNENNJMYUUOA-UHFFFAOYSA-N
norman_susdat_id: NS00062086
pubchem_cid: 109379
smiles: C=C(C=1C=CC=CC1)CC(C=2C=CC=CC2)(C)CC(C=3C=CC=CC3)(C)CC(C=4C=CC=CC4)C
inchi:
InChI=1/C35H38/c1-28(30-17-9-5-10-18-30)25-34(3,32-21-13-7-14-22-32)27-35(4,33-23-15-8-16-24-33)26-29(2)31-19-11-6-12-20-31/h5-24,29H,1,25-27H2,2-4H3


cas: 68443-84-5
formula: C61H112O13
norman_susdat_id: NS00107529
name:
triisononanoic acid, triester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diol] tris(2-ethylhexanoate)


name: Isooctadecanoic acid, monoamide with 2-[(2-aminoethyl)amino]ethanol
cas: 68443-85-6
dtxsid: DTXSID7028510
formula: C18H37NO
inchikey: CQGNKFQLZKGCLM-UHFFFAOYSA-N
norman_susdat_id: NS00061569
pubchem_cid: 22833355
smiles: O=C(N)CCCCCCCCCCCCCCC(C)C.OCCNCCN
inchi:
InChI=1/C18H37NO.C4H12N2O/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;5-1-2-6-3-4-7/h17H,3-16H2,1-2H3,(H2,19,20);6-7H,1-5H2


name: Diethyl(2-hydroxyethyl)[2-[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulphate
cas: 68443-92-5
dtxsid: DTXSID5071541
formula: C26H55N2O2
inchikey: STDNLQPRAPEPQC-UHFFFAOYSA-N
norman_susdat_id: NS00061220
pubchem_cid: 110298
smiles: O=C(NCC[N+](CC)(CC)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C26H54N2O2.C2H6O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27-22-23-28(5-2,6-3)24-25-29;1-2-6-7(3,4)5/h29H,4-25H2,1-3H3;2H2,1H3,(H,3,4,5)


cas: 68443-93-6
formula: C18H34O6
norman_susdat_id: NS00101360
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,4-anhydro-D-glucitol 6-dodecanoate (3:1)


name: Methyl 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionate
cas: 68444-01-9
dtxsid: DTXSID0071542
formula: C20H38N2O3
inchikey: MDACUSSBOYFWQT-UHFFFAOYSA-N
norman_susdat_id: NS00061221
pubchem_cid: 110305
smiles: O=C(OC)CCOCCN1C(=NCC1)CCCCCCCCCCC
inchi:
InChI=1/C20H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24-2/h3-18H2,1-2H3


name: Sodium 3,6-bis(propylthio)naphthalene-2-sulphonate
cas: 68444-02-0
dtxsid: DTXSID5071543
formula: C16H20O3S3
inchikey: JJEXYYGTOZOKMJ-UHFFFAOYSA-M
norman_susdat_id: NS00062795
pubchem_cid: 110307
smiles: [Na+].O=S(=O)([O-])C=1C=C2C=CC(SCCC)=CC2=CC1SCCC
inchi:
InChI=1/C16H20O3S3.Na/c1-3-7-20-14-6-5-12-11-16(22(17,18)19)15(21-8-4-2)10-13(12)9-14;/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1


name: Sodium 2-heptadecyl-1-methyl-1H-benzimidazole-7-sulphonate
cas: 68444-03-1
dtxsid: DTXSID0071544
formula: C25H42N2O3S
inchikey: QLIHKCFMDGTQNZ-UHFFFAOYSA-M
norman_susdat_id: NS00062796
pubchem_cid: 110309
smiles: [Na+].O=S(=O)([O-])C1=CC=CC=2N=C(N(C21)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H42N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-22-19-18-20-23(31(28,29)30)25(22)27(24)2;/h18-20H,3-17,21H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: Sodium 2-heptadecyl-1H-benzimidazole-4-sulphonate
cas: 68444-04-2
dtxsid: DTXSID5071545
formula: C24H40N2O3S
inchikey: SQXNPLJFLMAXHO-UHFFFAOYSA-M
norman_susdat_id: NS00061799
pubchem_cid: 109864
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C2NC(=NC21)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H40N2O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-21-18-17-19-22(24(21)26-23)30(27,28)29;/h17-19H,2-16,20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1


name: 5-ethyl-5-(2-methylbutyl)-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione
cas: 68444-05-3
dtxsid: DTXSID10887263
formula: C16H26N2O4
inchikey: DQAHCWJRTIMIAN-UHFFFAOYSA-N
norman_susdat_id: NS00061222
pubchem_cid: 92378
smiles: O=C1N(C(=O)C(N1CC2OC2)(CC)CC(C)CC)CC3OC3
inchi:
InChI=1/C16H26N2O4/c1-4-11(3)6-16(5-2)14(19)17(7-12-9-21-12)15(20)18(16)8-13-10-22-13/h11-13H,4-10H2,1-3H3


cas: 68444-07-5
dtxsid: DTXSID70887264
formula: C23H18ClN5O5S
inchikey: LZPLVWJHHGMNIB-UHFFFAOYSA-M
norman_susdat_id: NS00061223
pubchem_cid: 110314
smiles: [K+].O=C(NC1=CC=C(C(N=NC2C(=O)N(N=C2C)C=3C=CC=CC3Cl)=C1)S(=O)(=O)[O-])C=4C=CC=CC4
name:
Potassium 4-benzamido-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C23H18ClN5O5S.K/c1-14-21(23(31)29(28-14)19-10-6-5-9-17(19)24)27-26-18-13-16(11-12-20(18)35(32,33)34)25-22(30)15-7-3-2-4-8-15;/h2-13,21H,1H3,(H,25,30)(H,32,33,34);/q;+1/p-1


cas: 68444-08-6
dtxsid: DTXSID5071547
formula: C26H18N4O6S
inchikey: AAJBUPGJXKDHSC-UHFFFAOYSA-M
norman_susdat_id: NS00061570
pubchem_cid: NA
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C26H18N4O6S.Na/c27-24-21(37(34,35)36)13-20(22-23(24)26(33)19-4-2-1-3-18(19)25(22)32)28-14-5-7-15(8-6-14)29-30-16-9-11-17(31)12-10-16;/h1-13,28,31H,27H2,(H,34,35,36);/q;+1/p-1


name: Sodium 4-[[4-[(4-ethoxy-m-tolyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate
cas: 68444-09-7
dtxsid: DTXSID0071548
formula: C23H24N4O6S
inchikey: CXPIKMCKPMLZOY-UHFFFAOYSA-M
norman_susdat_id: NS00061587
pubchem_cid: 110318
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(OCC)C(=C3)C)=CC2OC)C=C1
inchi:
InChI=1/C23H24N4O6S.Na/c1-5-33-21-11-8-17(12-15(21)2)25-27-20-14-22(31-3)19(13-23(20)32-4)26-24-16-6-9-18(10-7-16)34(28,29)30;/h6-14H,5H2,1-4H3,(H,28,29,30);/q;+1/p-1


name: Propane-1,2,3-triyl tris(3-oxooctanoate)
cas: 68444-14-4
dtxsid: DTXSID00988096
formula: C27H44O9
inchikey: DNBRLNRCKKEJHW-UHFFFAOYSA-N
norman_susdat_id: NS00061800
pubchem_cid: 110323
smiles: O=C(OCC(OC(=O)CC(=O)CCCCC)COC(=O)CC(=O)CCCCC)CC(=O)CCCCC
inchi:
InChI=1/C27H44O9/c1-4-7-10-13-21(28)16-25(31)34-19-24(36-27(33)18-23(30)15-12-9-6-3)20-35-26(32)17-22(29)14-11-8-5-2/h24H,4-20H2,1-3H3


name: Bis(2-hydroxyethyl)methyl-3-(tridecyloxy)propylammonium chloride
cas: 68444-16-6
dtxsid: DTXSID30887402
formula: C21H46NO3
inchikey: OCEJZQODVBRYFB-UHFFFAOYSA-M
norman_susdat_id: NS00061588
pubchem_cid: 110324
smiles: [Cl-].OCC[N+](C)(CCO)CCCOCCCCCCCCCCCCC
inchi:
InChI=1/C21H46NO3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-21-14-15-22(2,16-18-23)17-19-24;/h23-24H,3-21H2,1-2H3;1H/q+1;/p-1


name: 2-heptadecyl-4,5-dihydro-1H-imidazole-1-ethanol phosphate
cas: 68444-19-9
formula: C22H44N2O.xH3O4P
inchikey: HMRPOFXYUBTFNV-UHFFFAOYSA-N
norman_susdat_id: NS00090844
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCO.OP(=O)(O)O
inchi:
InChI=1/C22H44N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h25H,2-21H2,1H3;(H3,1,2,3,4)


name: Octadecenoic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 68444-28-0
formula: C18H34O2.C4H11NO2
inchikey: KGVPAGDDAAYBGA-UHFFFAOYSA-N
norman_susdat_id: NS00090845
smiles: O=C(O)C=CCCCCCCCCCCCCCCC.OCCNCCO
inchi:
InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h16-17H,2-15H2,1H3,(H,19,20);5-7H,1-4H2


name: Isohexacosanol
cas: 68444-33-7
chebiid: CHEBI:84917
chemspiderid: 99061
dtxsid: DTXSID9071553
formula: C26H54O1
inchikey: XCAKLCDEUPZJOI-UHFFFAOYSA-N
norman_susdat_id: NS00014195
pubchem_cid: 110328
smiles: CC(C)CCCCCCCCCCCCCCCCCCCCCCCO
inchi:
InChI=1S/C26H54O/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27/h26-27H,3-25H2,1-2H3


name: 2,2'-oxybis(methylethyl) dioctanoate
cas: 68444-34-8
dtxsid: DTXSID20988098
formula: C22H42O5
inchikey: RHRLCJQIBMRCGA-UHFFFAOYSA-N
norman_susdat_id: NS00062847
pubchem_cid: 3034844
smiles: O=C(OC(C)COCC(OC(=O)CCCCCCC)C)CCCCCCC
inchi:
InChI=1/C22H42O5/c1-5-7-9-11-13-15-21(23)26-19(3)17-25-18-20(4)27-22(24)16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3


name: 2,2'-oxybis(methylethyl) bisheptanoate
cas: 68444-35-9
dtxsid: DTXSID80988099
formula: C20H38O5
inchikey: ZSLIFBJQSGBWAD-UHFFFAOYSA-N
norman_susdat_id: NS00062848
pubchem_cid: 3034845
smiles: O=C(OC(C)COCC(OC(=O)CCCCCC)C)CCCCCC
inchi:
InChI=1/C20H38O5/c1-5-7-9-11-13-19(21)24-17(3)15-23-16-18(4)25-20(22)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3


cas: 68459-31-4
norman_susdat_id: NS00113562
name:
Fatty acids, C9-11-branched, glycidyl esters, polymers with castor oil, formaldehyde, 6-phenyl-1,3,5-triazine-2,4-diamine and phthalic anhydride


name: [2-[(2-aminoethyl)amino]ethyl](2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulphate
cas: 68459-83-6
dtxsid: DTXSID50887404
formula: C27H56N3O3
inchikey: BWXUWFRLHCHAHX-UHFFFAOYSA-N
norman_susdat_id: NS00062868
pubchem_cid: 110330
smiles: O=C(O)CC[N+](C(=O)CCCCCCCCCCCCCCCCC)(CC)CCNCCN.O=S(=O)([O-])OCC
inchi:
InChI=1/C27H55N3O3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)30(4-2,24-20-27(32)33)25-23-29-22-21-28;1-2-6-7(3,4)5/h29H,3-25,28H2,1-2H3;2H2,1H3,(H,3,4,5)


name: Disodium 1-amino-4-[N-(4-acetylaminophenyl)amino]anthracene-2,5-disulphonate
cas: 6846-21-5
dtxsid: DTXSID3064487
formula: C22H19N3O7S2
inchikey: RWXXULMCZQJNON-UHFFFAOYSA-L
norman_susdat_id: NS00045188
pubchem_cid: 21115739
smiles: [Na+].[Na+].O=C(NC1=CC=C(C=C1)NC2=CC(=C(N)C=3C=C4C=CC=C(C4=CC23)S(=O)(=O)[O-])S(=O)(=O)[O-])C
inchi:
InChI=1/C22H19N3O7S2.2Na/c1-12(26)24-14-5-7-15(8-6-14)25-19-11-21(34(30,31)32)22(23)18-9-13-3-2-4-20(33(27,28)29)16(13)10-17(18)19;;/h2-11,25H,23H2,1H3,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 68460-07-1
dtxsid: DTXSID9071559
formula: C28H22N8O8S2
inchikey: NNCWRSDTNARKSA-UHFFFAOYSA-L
norman_susdat_id: NS00062869
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt

inchi:
InChI=1/C28H22N8O8S2.2Na/c29-20-14-19(37)10-11-21(20)34-31-17-6-8-18(9-7-17)33-35-26-22(45(39,40)41)12-15-13-23(46(42,43)44)27(28(38)24(15)25(26)30)36-32-16-4-2-1-3-5-16;;/h1-14,37-38H,29-30H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4N)C=C3)C(N)=C2C(O)=C1N=NC=5C=CC=CC5)S(=O)(=O)[O-]


cas: 68460-08-2
dtxsid: DTXSID00889978
formula: C45H32N10O13S4
inchikey: OMHXXQIOICGWIK-UHFFFAOYSA-J
norman_susdat_id: NS00061647
pubchem_cid: 172151
name:
Tetrasodium 5,5'-(carbonyldiimino)bis[8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C45H32N10O13S4.4Na/c56-45(46-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-52-29-5-1-27(2-6-29)48-50-31-9-13-33(14-10-31)69(57,58)59)47-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-53-30-7-3-28(4-8-30)49-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2)C=4C=C(C=CC14)S(=O)(=O)[O-])NC5=CC=C(N=NC6=CC=C(N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C=C6)C=8C=C(C=CC58)S(=O)(=O)[O-]


name: Sodium hydrogen 4-aminobenzene-1,3-disulphonate
cas: 68466-09-1
formula: C6H7NO6S2.Na
inchikey: JYKSCWRCLLNCHG-UHFFFAOYSA-L
norman_susdat_id: NS00091383
smiles: [Na+].Nc1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C6H7NO6S2.Na/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);/q;+1/p-2


name: Benzoic acid, compound with N,N-dimethyldodecylamine (1:1)
cas: 68473-31-4
formula: C14H31N.C7H6O2
inchikey: CKCXTNZTRRWVSM-UHFFFAOYSA-N
norman_susdat_id: NS00090775
smiles: CCCCCCCCCCCCN(C)C.OC(=O)c1ccccc1
inchi:
InChI=1/C14H31N.C7H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;8-7(9)6-4-2-1-3-5-6/h4-14H2,1-3H3;1-5H,(H,8,9)


name: 1,3-Propanediamine, N-[3-(tridecyloxy)propyl]-, branched
cas: 68479-04-9
chemspiderid: 17215499
dtxsid: DTXSID0028616
formula: C19H42N2O1
inchikey: OMQFYSDZSLDVLL-UHFFFAOYSA-N
norman_susdat_id: NS00005469
pubchem_cid: 22833356
smiles: CC(C)CC(C)CCCCCCCOCCCNCCCN
inchi:
InChI=1S/C19H42N2O/c1-18(2)17-19(3)11-7-5-4-6-8-15-22-16-10-14-21-13-9-12-20/h18-19,21H,4-17,20H2,1-3H3


name: N-(6-amino-3,5,5-trimethylhexyl)-p-toluenesulphonamide
cas: 68479-59-4
dtxsid: DTXSID50887409
formula: C16H28N2O2S
inchikey: XSEOXXHTZJDHFY-UHFFFAOYSA-N
norman_susdat_id: NS00061626
pubchem_cid: 109403
smiles: O=S(=O)(NCCC(C)CC(C)(C)CN)C1=CC=C(C=C1)C
inchi:
InChI=1/C16H28N2O2S/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(2)11-16(3,4)12-17/h5-8,14,18H,9-12,17H2,1-4H3


name: 5-methyl-2-(1-methylethyl)cyclohexyl [3-(triethoxysilyl)propyl]carbamate
cas: 68479-61-8
dtxsid: DTXSID60887410
formula: C20H41NO5Si
inchikey: RZTQENQVQRHAHZ-UHFFFAOYSA-N
norman_susdat_id: NS00061628
pubchem_cid: 109404
smiles: O=C(OC1CC(C)CCC1C(C)C)NCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C20H41NO5Si/c1-7-23-27(24-8-2,25-9-3)14-10-13-21-20(22)26-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3,(H,21,22)


name: Butanedioic acid, sulfo-, mono[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl] ester, disodium salt
cas: 68479-64-1
chemspiderid: 4942015
dtxsid: DTXSID5041695
formula: C24H43N1O8S1
inchikey: JVGRSHCZTCRFAL-MDZDMXLPSA-N
norman_susdat_id: NS00013625
pubchem_cid: 6437459
smiles: [Na+].[Na+].CCCCCCCC/C=C/CCCCCCCC(=O)NCCOC(=O)CC(C([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C24H43NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-18-19-33-23(27)20-21(24(28)29)34(30,31)32;;/h9-10,21H,2-8,11-20H2,1H3,(H,25,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/b10-9+;;


name: 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl didecanoate
cas: 68479-72-1
formula: C41H76O8
inchikey: AMVDHHPLWPTQMD-UHFFFAOYSA-N
norman_susdat_id: NS00061395
pubchem_cid: 110356
smiles: O=C(OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCC
inchi:
InChI=1/C41H76O8/c1-5-9-13-17-19-23-27-31-39(44)48-35-41(33-46-37(42)29-25-21-15-11-7-3,34-47-38(43)30-26-22-16-12-8-4)36-49-40(45)32-28-24-20-18-14-10-6-2/h5-36H2,1-4H3


name: O,O-bis(dodecylphenyl) S-(phenylethyl) dithiophosphate
cas: 68479-73-2
dtxsid: DTXSID60988133
formula: C44H67O2PS2
inchikey: OSJDBBQQIDWTBK-UHFFFAOYSA-N
norman_susdat_id: NS00060978
pubchem_cid: NA
smiles: S=P(OC=1C=CC=CC1CCCCCCCCCCCC)(OC=2C=CC=CC2CCCCCCCCCCCC)SC(C=3C=CC=CC3)C
inchi:
InChI=1/C44H67O2PS2/c1-4-6-8-10-12-14-16-18-20-23-33-41-35-27-29-37-43(41)45-47(48,49-39(3)40-31-25-22-26-32-40)46-44-38-30-28-36-42(44)34-24-21-19-17-15-13-11-9-7-5-2/h22,25-32,35-39H,4-21,23-24,33-34H2,1-3H3


name: Ethylenebis[(3-chloro-2-hydroxypropyl)dimethylammonium] dichloride
cas: 68479-76-5
dtxsid: DTXSID60889979
formula: C12H28Cl2N2O2
inchikey: JPSXYQIMVIXJET-UHFFFAOYSA-L
norman_susdat_id: NS00060979
pubchem_cid: 109407
smiles: [Cl-].[Cl-].ClCC(O)C[N+](C)(C)CC[N+](C)(C)CC(O)CCl
inchi:
InChI=1/C12H28Cl2N2O2.2ClH/c1-15(2,9-11(17)7-13)5-6-16(3,4)10-12(18)8-14;;/h11-12,17-18H,5-10H2,1-4H3;2*1H/q+2;;/p-2


cas: 68479-79-8
chemspiderid: 95396
dtxsid: DTXSID8071564
formula: C26H30N2O10
inchikey: YVEWFPRYDOIMKL-UHFFFAOYSA-N
norman_susdat_id: NS00036605
pubchem_cid: 110359
smiles: COCCOC(=O)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCC(=O)OCCOC)c1C2=O
name:
.beta.-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester

inchi:
InChI=1S/C26H30N2O10/c1-35-11-13-37-19(31)7-9-27-15-3-5-17(29)23-21(15)25(33)24-18(30)6-4-16(22(24)26(23)34)28-10-8-20(32)38-14-12-36-2/h3-6,27-30H,7-14H2,1-2H3


name: 6-(2,2,3-Trimethylcyclopent-3-en-1-yl) hex-5-en-3-ol
cas: 68480-05-7
chemspiderid: 4942017
dtxsid: DTXSID0052411
formula: C14H24O1
inchikey: ZCPKYSNRVOTPBB-UHFFFAOYNA-N
norman_susdat_id: NS00036606
pubchem_cid: NA
smiles: CCC(O)C/C=C/C1CC=C(C)C1(C)C
inchi:
InChI=1S/C14H24O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12-13,15H,5,8,10H2,1-4H3/b7-6+/t12-,13-/m0/s1


name: Apyramide
cas: 68483-33-0
chemspiderid: 45526
dtxsid: DTXSID00218582
formula: C27H23Cl1N2O5
inchikey: KWUFTKVMXUYTBF-UHFFFAOYSA-N
norman_susdat_id: NS00036615
pubchem_cid: 50204
smiles: COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)Oc1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C27H23ClN2O5/c1-16-23(15-26(32)35-21-10-8-20(9-11-21)29-17(2)31)24-14-22(34-3)12-13-25(24)30(16)27(33)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,31)


cas: 68484-35-5
dtxsid: DTXSID90218591
formula: C22H30N2O2
inchikey: MKTACNXFWOOJBX-UHFFFAOYSA-N
norman_susdat_id: NS00062669
pubchem_cid: 146795
smiles: Cl.Cl.N=1C(=C(OCCCCNC(C)C)C2=C(C1CC=3C=CC=CC3)COC2)C
name:
4-[[1,3-dihydro-6-methyl-4-benzylfuro[3,4-c]pyridin-7-yl]oxy]-N-(isopropyl)butylamine dihydrochloride

inchi:
InChI=1/C22H30N2O2.2ClH/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18;;/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3;2*1H


cas: 68492-68-2
norman_susdat_id: NS00113505
name:
2-Propenoic acid, 2-methyl-, polymer with 1,3-butadiene, (chloromethyl)oxirane, 4,4-(1-methylethylidene)bis[phenol] and 2-propenenitrile


name: Pramiracetam
cas: 68497-62-1
chebiid: CHEBI:135110
chemspiderid: 46801
dtxsid: DTXSID60218604
formula: C14H27N3O2
inchikey: ZULJGOSFKWFVRX-UHFFFAOYSA-N
norman_susdat_id: NS00010537
pubchem_cid: 51712
smiles: CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C
inchi:
InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)


name: 9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-salicylate
cas: 68497-93-8
dtxsid: DTXSID80988150
formula: C28H31FO7
inchikey: FCSHKGYSUMKFNH-ZNLJJCQFSA-N
norman_susdat_id: NS00062692
pubchem_cid: 12944078
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C=5C=CC=CC5O)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H31FO7/c1-25-11-9-17(30)13-16(25)7-8-20-19-10-12-27(35,26(19,2)14-22(32)28(20,25)29)23(33)15-36-24(34)18-5-3-4-6-21(18)31/h3-6,9,11,13,19-20,22,31-32,35H,7-8,10,12,14-15H2,1-2H3


name: 6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-salicylate
cas: 68497-94-9
dtxsid: DTXSID40988151
formula: C29H32F2O7
inchikey: RXAYXSKXOCODSP-YKQZNMERSA-N
norman_susdat_id: NS00061683
pubchem_cid: 12944080
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C=5C=CC=CC5O)C4(C)CC(O)C32F)C
inchi:
InChI=1/C29H32F2O7/c1-15-10-18-19-12-21(30)20-11-16(32)8-9-26(20,2)28(19,31)23(34)13-27(18,3)29(15,37)24(35)14-38-25(36)17-6-4-5-7-22(17)33/h4-9,11,15,18-19,21,23,33-34,37H,10,12-14H2,1-3H3


name: Tetrasodium 4,5-dihydroxy-3,6-bis[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 68504-35-8
formula: C22H16N4O14S4
inchikey: FCMRBZBGGXLKBC-UHFFFAOYSA-J
norman_susdat_id: NS00061684
pubchem_cid: 135414815
inchi:
InChI=1/C22H16N4O14S4.4Na/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34;;;;/h1-10,27-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC=4C=CC=CC4S(=O)(=O)[O-])C3O)S(=O)(=O)[O-]


name: N-butyl-5-nitro-2-(2-propynyloxy)benzamide
cas: 68505-93-1
dtxsid: DTXSID90988161
formula: C14H17N2O4
inchikey: BNNHAQLPTDVJRX-UHFFFAOYSA-N
norman_susdat_id: NS00061685
pubchem_cid: 3017862
smiles: O=C(NCCCC)C1=CC(=CC=C1OCC#C)[N+](=O)[O-]
inchi:
InChI=1/C14H16N2O4/c1-3-5-8-15-14(17)12-10-11(16(18)19)6-7-13(12)20-9-4-2/h2,6-7,10H,3,5,8-9H2,1H3,(H,15,17)


name: 2'-[(2-chlorophenyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 68506-98-9
dtxsid: DTXSID30887427
formula: C30H25ClN2O3
inchikey: LRQZDCOOTPXRKM-UHFFFAOYSA-N
norman_susdat_id: NS00062694
pubchem_cid: 109425
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC=5C=CC=CC5Cl)N(CC)CC)C=6C=CC=CC16
inchi:
InChI=1/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-28(18-20)35-27-16-13-19(32-26-12-8-7-11-25(26)31)17-24(27)30(23)22-10-6-5-9-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3


cas: 68511-16-0
formula: C5H13O7P
norman_susdat_id: NS00101682
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1), phosphate, ammonium salt


name: Resin acids and Rosin acids, esters with ethylene glycol
cas: 68512-65-2
dtxsid: DTXSID9099080
inchikey: REJSFJZSMNKNNU-UHFFFAOYSA-N
norman_susdat_id: NS00076488
smiles: CC(C)C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)OCCOCCOCCOCCOCCO
inchi:
InChI=1S/C30H50O7/c1-23(2)24-6-8-26-25(22-24)7-9-27-29(26,3)10-5-11-30(27,4)28(32)37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-31/h7,22-23,26-27,31H,5-6,8-21H2,1-4H3


name: 2-[(6-nitro-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-3-yl)sulfanyl]acetohydrazide
cas: 685120-05-2
chemspiderid: 2100502
dtxsid: DTXSID60384914
formula: C10H11N3O5S2
inchikey: OAAWZHMRILBKGI-UHFFFAOYSA-N
norman_susdat_id: NS00018509
pubchem_cid: 2822286
smiles: NN=C(CSC1CS(=O)(=O)c2c1ccc(c2)N(=O)=O)O
inchi:
InChI=1S/C10H11N3O5S2/c11-12-10(14)4-19-8-5-20(17,18)9-3-6(13(15)16)1-2-7(8)9/h1-3,8H,4-5,11H2,(H,12,14)


name: 1,2-Benzenedicarboxylic acid, di-C7-9-branched and linear alkyl esters
cas: 68515-41-3
dtxsid: DTXSID7029792
formula: C24H38O4
inchikey: KRGVDPMPDFERJD-UHFFFAOYSA-N
norman_susdat_id: NS00060952
pubchem_cid: 22833451
smiles: O=C(OCC(C)C(CC)CC)C=1C=CC=CC1C(=O)OCC(C)C(CC)CC
inchi:
InChI=1/C24H38O4/c1-7-19(8-2)17(5)15-27-23(25)21-13-11-12-14-22(21)24(26)28-16-18(6)20(9-3)10-4/h11-14,17-20H,7-10,15-16H2,1-6H3


name: 1,2-Benzenedicarboxylic acid, dihexyl ester, branched and linear
cas: 68515-50-4
dtxsid: DTXSID5028667
formula: C20H30O4
inchikey: ALEROMXYYSQFLX-UHFFFAOYSA-N
norman_susdat_id: NS00062606
pubchem_cid: 8970
smiles: O=C(OCCCC(C)C)C=1C=CC=CC1C(=O)OCCCC(C)C
inchi:
InChI=1/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3


name: 1,2,4-Benzenetricarboxylic acid, tri-C7-9-branched and linear alkyl esters
cas: 68515-60-6
dtxsid: DTXSID2029793
formula: C33H54O6
inchikey: TTXANHKIIWHKOU-UHFFFAOYSA-N
norman_susdat_id: NS00061580
pubchem_cid: 22833452
smiles: O=C(OCC(C)C(CC)CC)C1=CC=C(C(=O)OCC(C)C(CC)CC)C(=C1)C(=O)OCC(C)C(CC)CC
inchi:
InChI=1/C33H54O6/c1-10-25(11-2)22(7)19-37-31(34)28-16-17-29(32(35)38-20-23(8)26(12-3)13-4)30(18-28)33(36)39-21-24(9)27(14-5)15-6/h16-18,22-27H,10-15,19-21H2,1-9H3


cas: 68515-62-8
dtxsid: DTXSID30882654
norman_susdat_id: NS00109949
name:
1,4-Benzenedicarboxylic acid, esters, dimethyl ester, reaction products with bis(2-hydroxyethyl) terephthalate, ethylene glycol, .alpha.-fluoro-.omega.-(2-hydroxyethyl)poly(difluoromethylene), hexakis(methoxymethyl)melamine and polyethylene glycol


cas: 68515-70-8
dtxsid: DTXSID90882796
norman_susdat_id: NS00112014
name:
1,2-Ethanediol, compounds, reaction products with .alpha.-fluoro-.omega.-(2-hydroxyethyl)poly(difluoromethylene), hexakis(methoxymethyl)melamine and polyethylene glycol


name: Pentene, 2,4,4-trimethyl-, sulfurized
cas: 68515-88-8
chemspiderid: 21106557
formula: C24H50S8
inchikey: FGXCXSMYCRNENC-UHFFFAOYSA-N
norman_susdat_id: NS00019443
pubchem_cid: 24180692
smiles: CC(C)(C)CC(C)(C)SSSSCC(C)(CC(C)(C)C)SSSSC(C)(C)CC(C)(C)C
inchi:
InChI=1S/C24H50S8/c1-19(2,3)15-22(10,11)26-30-29-25-18-24(14,17-21(7,8)9)28-32-31-27-23(12,13)16-20(4,5)6/h15-18H2,1-14H3/t24-/m0/s1


name: Oleic acid, compound with 2-ethylhexylamine (1:1)
cas: 68516-28-9
formula: C18H34O2.C8H19N
inchikey: ODELEHQHGADZBE-KVVVOXFISA-N
norman_susdat_id: NS00091422
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCC(CC)CN
inchi:
InChI=1/C18H34O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-6-8(4-2)7-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-7,9H2,1-2H3


name: Bromo[10-[(trimethylsilyl)oxy]decyl]magnesium
cas: 68516-34-7
formula: C13H29BrMgOSi
inchikey: VOJIOZAGUFRIHN-UHFFFAOYSA-M
norman_susdat_id: NS00091423
smiles: C[Si](C)(C)OCCCCCCCCCC[Mg]Br
inchi:
InChI=1/C13H29OSi.BrH.Mg/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;;/h1,5-13H2,2-4H3;1H;/q;;+1/p-1/rC13H29BrMgOSi/c1-17(2,3)16-13-11-9-7-5-4-6-8-10-12-15-14/h4-13H2,1-3H3


name: Nonacos-14-yne
cas: 68516-35-8
dtxsid: DTXSID2071578
formula: C29H56
inchikey: JYLPUGDQADDKAY-UHFFFAOYSA-N
norman_susdat_id: NS00061744
pubchem_cid: 110405
smiles: C(#CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C29H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3


name: Bromo[8-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octynyl]magnesium
cas: 68516-36-9
formula: C13H21BrMgO2
inchikey: BMEMJQZKWCMVMM-UHFFFAOYSA-M
norman_susdat_id: NS00090899
smiles: Br[Mg]C#CCCCCCCOC1CCCCO1
inchi:
InChI=1/C13H21O2.BrH.Mg/c1-2-3-4-5-6-8-11-14-13-10-7-9-12-15-13;;/h13H,3-12H2;1H;/q;;+1/p-1/rC13H21BrMgO2/c14-15-10-6-3-1-2-4-7-11-16-13-9-5-8-12-17-13/h13H,1-5,7-9,11-12H2


name: 3-oxo-N-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]butyramide
cas: 68516-48-3
dtxsid: DTXSID7071579
formula: C12H15NO8S2
inchikey: MEFNHSZVQXGNFR-UHFFFAOYSA-N
norman_susdat_id: NS00062992
pubchem_cid: 110407
smiles: O=C(NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)CC(=O)C
inchi:
InChI=1/C12H15NO8S2/c1-9(14)8-12(15)13-10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5H,6-8H2,1H3,(H,13,15)(H,18,19,20)


name: 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-
cas: 68516-49-4
chemspiderid: 99119
dtxsid: DTXSID6071580
formula: C16H6Br2O4
inchikey: IRGKJPHTQIWQTD-UHFFFAOYSA-N
norman_susdat_id: NS00036620
pubchem_cid: 110408
smiles: BrC1C(=O)c2ccc3C(=O)C(Br)C(=O)c4c3c2c(cc4)C1=O
inchi:
InChI=1S/C16H6Br2O4/c17-11-13(19)5-1-2-6-10-8(16(22)12(18)14(6)20)4-3-7(9(5)10)15(11)21/h1-4,11-12H/t11-,12+


name: Calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)
cas: 68516-56-3
dtxsid: DTXSID1071585
formula: C21H38N2O
inchikey: DZMHDRDYWJSAOT-UHFFFAOYSA-L
norman_susdat_id: NS00061367
pubchem_cid: 110414
smiles: [O-]C1=CC=C(C=C1CNCCN)CCCCCCCCCCCC.[O-]C1=CC=C(C=C1CNCCN)CCCCCCCCCCCC.[CaH2]
inchi:
InChI=1/2C21H38N2O.Ca.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22;;;/h2*13-14,17,23-24H,2-12,15-16,18,22H2,1H3;;;/q;;+2;;/p-2/r2C21H38N2O.CaH2/c2*1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22;/h2*13-14,17,23-24H,2-12,15-16,18,22H2,1H3;1H2/q;;+2/p-2


name: 1-Naphthalenesulfonic acid, 3-hydroxy-7-[(4-nitrobenzoyl)amino]-
cas: 68516-58-5
chemspiderid: 4588693
dtxsid: DTXSID1071587
formula: C17H12N2O7S1
inchikey: KPCWDWISHSLZCA-UHFFFAOYSA-N
norman_susdat_id: NS00036624
pubchem_cid: 5485531
smiles: Oc1cc(c2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc2c1)S(=O)(=O)O
inchi:
InChI=1S/C17H12N2O7S/c20-14-7-11-1-4-12(8-15(11)16(9-14)27(24,25)26)18-17(21)10-2-5-13(6-3-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)


name: Sodium m-[(4-amino-m-tolyl)azo]benzenesulphonate
cas: 68516-59-6
formula: C13H13N3O3S.Na
inchikey: VLVWDCRLRGHEHJ-UHFFFAOYSA-M
norman_susdat_id: NS00090900
smiles: [Na+].Cc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2N
inchi:
InChI=1/C13H13N3O3S.Na/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1


cas: 68516-61-0
formula: C30H29N2O4S.I
inchikey: RBOAQJHVDJPEHQ-UHFFFAOYSA-M
norman_susdat_id: NS00091424
smiles: [I-].O=C4O[N+](\C)=C(/C4=CC=C2N(CC)c1ccc(cc1C2(C)C)S(=O)(=O)c3ccccc3)c5ccccc5
name:
4-[[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene]ethylidene]-4,5-dihydro-2-methyl-5-oxo-3-phenylisoxazolium iodide

inchi:
InChI=1/C30H29N2O4S.HI/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;/h6-20H,5H2,1-4H3;1H/q+1;/p-1


name: Dipotassium 2,3-dihydro-3-oxo-2-[(4-sulphonatophenyl)methylene]benzo[b]thiophene-6-sulphonate
cas: 68516-62-1
dtxsid: DTXSID0071590
formula: C15H10O7S3
inchikey: AKEVPEHQJIEXSL-UHFFFAOYSA-L
norman_susdat_id: NS00061745
pubchem_cid: 110422
smiles: [K+].[K+].O=C1C(SC2=CC(=CC=C12)S(=O)(=O)[O-])=CC3=CC=C(C=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C15H10O7S3.2K/c16-15-12-6-5-11(25(20,21)22)8-13(12)23-14(15)7-9-1-3-10(4-2-9)24(17,18)19;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-
cas: 68516-64-3
chemspiderid: 99128
dtxsid: DTXSID5071591
formula: C20H20Cl1N5O4
inchikey: WZEDCVQFYOBERE-UHFFFAOYSA-N
norman_susdat_id: NS00036625
pubchem_cid: 110426
smiles: CC(=O)OCCN(CCC#N)c1cc(C)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H20ClN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3/b24-23+


name: Benzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo-
cas: 68516-70-1
chemspiderid: 99131
dtxsid: DTXSID0071592
formula: C39H53Cl1N2O5S1
inchikey: DFKPOYWYIKFZJL-UHFFFAOYSA-N
norman_susdat_id: NS00036626
pubchem_cid: 110430
smiles: CCCCCCCCCCCCCCCCCCOc1c(cccc1)C(=O)CC(=O)Nc1c(Cl)ccc(c1)S(=O)(=O)Nc1ccccc1
inchi:
InChI=1S/C39H53ClN2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-47-38-26-21-20-25-34(38)37(43)31-39(44)41-36-30-33(27-28-35(36)40)48(45,46)42-32-23-18-17-19-24-32/h17-21,23-28,30,42H,2-16,22,29,31H2,1H3,(H,41,44)


name: Sodium 1-butyl 10-hydroxy-9-sulphonatooctadecanoate
cas: 68516-72-3
dtxsid: DTXSID10887445
formula: C22H44O6S
inchikey: FOFVFERIDNIUBU-UHFFFAOYSA-M
norman_susdat_id: NS00061368
pubchem_cid: 109447
smiles: [Na+].O=C(OCCCC)CCCCCCCC(C(O)CCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H44O6S.Na/c1-3-5-7-8-10-13-16-20(23)21(29(25,26)27)17-14-11-9-12-15-18-22(24)28-19-6-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1


cas: 68516-73-4
chemspiderid: 98399
dtxsid: DTXSID20867657
formula: C34H32N6O12
inchikey: BZKXDIAAIOXKAH-UHFFFAOYSA-N
norman_susdat_id: NS00004219
pubchem_cid: 109448
smiles: COC(=O)c1ccc(C(=O)OC)c(c1)N=NC(C(C)=O)C(=O)Nc1ccc(NC(=O)C(N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O)cc1
name:
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester

inchi:
InChI=1S/C34H32N6O12/c1-17(41)27(39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)29(43)35-21-9-11-22(12-10-21)36-30(44)28(18(2)42)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28H,1-6H3,(H,35,43)(H,36,44)


name: N,N'-naphthalene-1,5-diylbis[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]naphthalene-2-carboxamide]
cas: 68516-74-5
formula: C46H34N8O10
inchikey: PLXWSHOTKFJRMU-UHFFFAOYSA-N
norman_susdat_id: NS00061369
pubchem_cid: NA
inchi:
InChI=1/C46H32N8O10/c1-63-39-23-27(53(59)60)17-19-37(39)49-51-41-29-11-5-3-9-25(29)21-33(43(41)55)45(57)47-35-15-7-14-32-31(35)13-8-16-36(32)48-46(58)34-22-26-10-4-6-12-30(26)42(44(34)56)52-50-38-20-18-28(54(61)62)24-40(38)64-2/h3-24,55-56H,1-2H3,(H,47,57)(H,48,58)

smiles:
O=C(NC1=CC=CC=2C(=CC=CC12)NC(=O)C3=CC=4C=CC=CC4C(N=NC5=CC=C(C=C5OC)[N+](=O)[O-])=C3O)C6=CC=7C=CC=CC7C(N=NC8=CC=C(C=C8OC)[N+](=O)[O-])=C6O


name: N,N'-naphthalene-1,5-diylbis[4-[(2,3-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]
cas: 68516-75-6
chemspiderid: 4590349
formula: C44H26Cl4N6O4
inchikey: BUYSBTOYLGJGAQ-OOJZLWMKSA-N
norman_susdat_id: NS00008479
pubchem_cid: 5490429
inchi:
InChI=1S/C44H26Cl4N6O4/c45-31-15-7-19-35(37(31)47)51-53-39-25-11-3-1-9-23(25)21-29(41(39)55)43(57)49-33-17-5-14-28-27(33)13-6-18-34(28)50-44(58)30-22-24-10-2-4-12-26(24)40(42(30)56)54-52-36-20-8-16-32(46)38(36)48/h1-22,51-52H,(H,49,57)(H,50,58)/b53-39-,54-40+

smiles:
Clc1cccc(NN=C2C(=O)C(=Cc3ccccc23)C(=O)Nc2cccc3c(NC(=O)C4=Cc5ccccc5C(=NNc5cccc(Cl)c5Cl)C4=O)cccc23)c1Cl


name: 9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-
cas: 68516-76-7
chemspiderid: 99132
dtxsid: DTXSID5071593
formula: C31H28N2O2
inchikey: DDWVBJNBOANWJV-UHFFFAOYSA-N
norman_susdat_id: NS00036627
pubchem_cid: 110431
smiles: Cc1ccc(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2c(cccc2)C3=O)c(C)c1
inchi:
InChI=1S/C31H28N2O2/c1-17-10-11-24(19(3)14-17)32-25-12-13-26(33-29-20(4)15-18(2)16-21(29)5)28-27(25)30(34)22-8-6-7-9-23(22)31(28)35/h6-16,32-33H,1-5H3


name: N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzamide
cas: 68516-77-8
dtxsid: DTXSID70887446
formula: C22H16N2O4
inchikey: XMQCOHKRKJYGHP-UHFFFAOYSA-N
norman_susdat_id: NS00063013
pubchem_cid: 110432
smiles: O=C(NC1=CC(OC)=C(N)C=2C(=O)C=3C=CC=CC3C(=O)C12)C=4C=CC=CC4
inchi:
InChI=1/C22H16N2O4/c1-28-16-11-15(24-22(27)12-7-3-2-4-8-12)17-18(19(16)23)21(26)14-10-6-5-9-13(14)20(17)25/h2-11H,23H2,1H3,(H,24,27)


name: Benzo[b]thiophen-3(2H)-one, 4,7-dimethyl-2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
cas: 68516-80-3
chemspiderid: 2299249
dtxsid: DTXSID5071595
formula: C18H12O2S2
inchikey: LEJFJMYRQZBWHT-UHFFFAOYSA-N
norman_susdat_id: NS00036628
pubchem_cid: 110435
smiles: Cc1ccc(C)c2c1S/C(=C/1Sc3c(cccc3)C1=O)/C2=O
inchi:
InChI=1S/C18H12O2S2/c1-9-7-8-10(2)16-13(9)15(20)18(22-16)17-14(19)11-5-3-4-6-12(11)21-17/h3-8H,1-2H3/b18-17-


name: 2-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethanol
cas: 68516-81-4
formula: C14H17N5O3S
inchikey: UIHYHADQHHUIOF-UHFFFAOYSA-N
norman_susdat_id: NS00090675
smiles: CCN(CCO)c2ccc(N=Nc1ncc(s1)[N+]([O-])=O)c(C)c2
inchi:
InChI=1/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3


name: Sodium 5-hexadecylsalicylate
cas: 68516-82-5
formula: C23H38O3.Na
inchikey: XPWPLTZVHWUMQS-UHFFFAOYSA-M
norman_susdat_id: NS00090921
smiles: [Na+].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-]
inchi:
InChI=1/C23H38O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h17-19,24H,2-16H2,1H3,(H,25,26);/q;+1/p-1


name: 2,2',2''-[propylidynetris(p-phenyleneoxymethylene)]trioxirane
cas: 68517-02-2
dtxsid: DTXSID30887447
formula: C30H32O6
inchikey: VLVBXHBIJRSJKD-UHFFFAOYSA-N
norman_susdat_id: NS00061785
pubchem_cid: 56843690
smiles: O(C1=CC=C(C=C1)C(C2=CC=C(OCC3OC3)C=C2)(C4=CC=C(OCC5OC5)C=C4)CC)CC6OC6
inchi:
InChI=1/C30H32O6/c1-2-30(21-3-9-24(10-4-21)31-15-27-18-34-27,22-5-11-25(12-6-22)32-16-28-19-35-28)23-7-13-26(14-8-23)33-17-29-20-36-29/h3-14,27-29H,2,15-20H2,1H3


name: Disuccinimidyl suberate (DSS)
cas: 68526-60-3
chemspiderid: 90944
formula: C16H20N2O8
inchikey: ZWIBGKZDAWNIFC-UHFFFAOYSA-N
norman_susdat_id: NS00015115
pubchem_cid: 100658
smiles: C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O
inchi:
InChI=1S/C16H20N2O8/c19-11-7-8-12(20)17(11)25-15(23)5-3-1-2-4-6-16(24)26-18-13(21)9-10-14(18)22/h1-10H2


cas: 68527-25-3
dtxsid: DTXSID4099401
norman_susdat_id: NS00113172
name:
Naphtha (petroleum), light steam-cracked arom., polymer with light steam-cracked arom. petroleum naphtha piperylene conc. and medium steam-cracked arom. petroleum naphtha


name: [4-[a-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate
cas: 68527-61-7
formula: C23H25N2.C7H5O2
inchikey: XXDIMAOKYNRIQM-UHFFFAOYSA-M
norman_susdat_id: NS00091342
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]C(=O)c4ccccc4
inchi:
InChI=1/C23H25N2.C7H6O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;8-7(9)6-4-2-1-3-5-6/h5-17H,1-4H3;1-5H,(H,8,9)/q+1;/p-1


name: Calcium 2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)phenolate]
cas: 68527-62-8
formula: C29H44O2.xCa
inchikey: YXSZZYUCAWASKW-UHFFFAOYSA-L
norman_susdat_id: NS00091460
smiles: [Ca+2].CC(C)(C)CC(C)(C)c1ccc([O-])c(Cc2cc(ccc2[O-])C(C)(C)CC(C)(C)C)c1
inchi:
InChI=1/C29H44O2.Ca/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6;/h11-14,16-17,30-31H,15,18-19H2,1-10H3;/q;+2/p-2


name: Diethyl sulphate, compound with 2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol (1:1)
cas: 68527-63-9
formula: C22H42N2O.C4H10O4S
inchikey: VZRKETAUDBGCTG-UHFFFAOYSA-N
norman_susdat_id: NS00091596
smiles: OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.O=S(=O)(OCC)OCC
inchi:
InChI=1/C22H42N2O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-3-7-9(5,6)8-4-2/h9-10,25H,2-8,11-21H2,1H3;3-4H2,1-2H3


name: Oleic acid, compound with 2,2',2''-nitrilotri(propan-2-ol) (1:1)
cas: 68527-64-0
formula: C18H34O2.C9H21NO3
inchikey: GMNXHEFLLBDATL-KVVVOXFISA-N
norman_susdat_id: NS00091461
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)(O)N(C(C)(C)O)C(C)(C)O
inchi:
InChI=1/C18H34O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-7(2,11)10(8(3,4)12)9(5,6)13/h9-10H,2-8,11-17H2,1H3,(H,19,20);11-13H,1-6H3


name: Benzoic acid, 2-[[2-(phenylmethylene)heptylidene]amino]-, methyl ester
cas: 68527-78-6
chemspiderid: 4939866
dtxsid: DTXSID1071616
formula: C22H25N1O2
inchikey: YQIWYASBSBXASC-MRDIXRINSA-N
norman_susdat_id: NS00011959
pubchem_cid: NA
smiles: CCCCCC(C=Nc1ccccc1C(=O)OC)=C/c2ccccc2
inchi:
InChI=1S/C22H25NO2/c1-3-4-6-13-19(16-18-11-7-5-8-12-18)17-23-21-15-10-9-14-20(21)22(24)25-2/h5,7-12,14-17H,3-4,6,13H2,1-2H3/b19-16+,23-17?


name: HAPNXLWNFLTTIE-JLHYYAGUSA-N
cas: 1ccc2cccc-c1-2
chebiid: 68527-79-7
inchi: 4939867
inchikey: 6435060
norman_susdat_id: DTXSID30867663
smiles: NS00012633
formula:
InChI=1S/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3/b13-10+


name: 2,3,6,7-Anthracenetetrol, 9,10-dihydro-9,9,10,10-tetramethyl-
cas: 68527-81-1
chemspiderid: 99160
dtxsid: DTXSID1071618
formula: C18H20O4
inchikey: OVYOPMBBXJXHQV-UHFFFAOYSA-N
norman_susdat_id: NS00036635
pubchem_cid: 110470
smiles: CC1(C)c2cc(O)c(O)cc2C(C)(C)c2c1cc(O)c(O)c2
inchi:
InChI=1S/C18H20O4/c1-17(2)9-5-13(19)15(21)7-11(9)18(3,4)12-8-16(22)14(20)6-10(12)17/h5-8,19-22H,1-4H3


name: Octane, 1,1-bis(octyloxy)-
cas: 68527-82-2
chemspiderid: 99161
dtxsid: DTXSID6071619
formula: C24H50O2
inchikey: MOYIXNPVAUEVMW-UHFFFAOYSA-N
norman_susdat_id: NS00036636
pubchem_cid: 110471
smiles: CCCCCCCCOC(CCCCCCC)OCCCCCCCC
inchi:
InChI=1S/C24H50O2/c1-4-7-10-13-16-19-22-25-24(21-18-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h24H,4-23H2,1-3H3


name: Phenol, 3-methyl-4-nitro-, phosphate (3:1) (ester)
cas: 68527-98-0
chemspiderid: 99165
dtxsid: DTXSID0071621
formula: C21H18N3O10P1
inchikey: SNIKDGGXGSYRMO-UHFFFAOYSA-N
norman_susdat_id: NS00036638
pubchem_cid: 110475
smiles: Cc1cc(OP(=O)(Oc2ccc(c(C)c2)[N+](=O)[O-])Oc2ccc(c(C)c2)[N+](=O)[O-])ccc1[N+](=O)[O-]
inchi:
InChI=1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3


name: Disodium 1,3-bis(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium dihydroxide
cas: 68527-99-1
dtxsid: DTXSID50897381
formula: C20H39N2O5
inchikey: AINDBXOZZKMALY-UHFFFAOYSA-M
norman_susdat_id: NS00064353
pubchem_cid: NA
smiles: [Na+].[Na+].[OH-].[OH-].O=C(O)CN1CC[N+](CC(=O)O)(CCO)C1CCCCCCCCCCC
inchi:
InChI=1/C20H38N2O5.2Na.2H2O/c1-2-3-4-5-6-7-8-9-10-11-18-21(16-19(24)25)12-13-22(18,14-15-23)17-20(26)27;;;;/h18,23H,2-17H2,1H3,(H-,24,25,26,27);;;2*1H2/q;2*+1;;/p-1


name: 9H-Fluoren-3-amine, 7-chloro-N,N-diethyl-6-methyl-
cas: 68528-00-7
chemspiderid: 99166
dtxsid: DTXSID5071622
formula: C18H20Cl1N1
inchikey: HJJJOCOYMMBYNN-UHFFFAOYSA-N
norman_susdat_id: NS00036639
pubchem_cid: 110476
smiles: CCN(CC)c1cc2c(Cc3cc(Cl)c(C)cc23)cc1
inchi:
InChI=1S/C18H20ClN/c1-4-20(5-2)15-7-6-13-9-14-10-18(19)12(3)8-16(14)17(13)11-15/h6-8,10-11H,4-5,9H2,1-3H3


name: Bis(2-methoxybenzylaminohex-6-ylaminoethyl)disulphane
cas: 68535-69-3
dtxsid: DTXSID30988206
formula: C32H54N4O2S2
inchikey: IIWOUNLDWKZMQI-UHFFFAOYSA-N
norman_susdat_id: NS00063330
pubchem_cid: 2317
smiles: O(C=1C=CC=CC1CNCCCCCCNCCSSCCNCCCCCCNCC=2C=CC=CC2OC)C
inchi:
InChI=1/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3


name: L-Folinic acid
cas: 68538-85-2
chebiid: CHEBI:63606
dtxsid: DTXSID4023204
formula: C20H23N7O7
inchikey: VVIAGPKUTFNRDU-STQMWFEESA-N
norman_susdat_id: NS00070481
smiles: Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2
inchi:
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1


cas: 6854-81-5
formula: C53H44N14O13S4
inchikey: YDPZXLFCTSIAHS-UHFFFAOYSA-J
norman_susdat_id: NS00045204
pubchem_cid: 53470638
name:
Tetrasodium 2,2'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]

inchi:
InChI=1/C53H44N14O13S4.4Na/c1-31-25-37(9-19-45(31)62-60-39-11-21-47(33(3)27-39)64-66-49-23-13-41(29-51(49)83(75,76)77)58-56-35-5-15-43(16-6-35)81(69,70)71)54-53(68)55-38-10-20-46(32(2)26-38)63-61-40-12-22-48(34(4)28-40)65-67-50-24-14-42(30-52(50)84(78,79)80)59-57-36-7-17-44(18-8-36)82(72,73)74;;;;/h5-30H,1-4H3,(H2,54,55,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])C(=C2)C)C(=C1)C)NC5=CC=C(N=NC6=CC=C(N=NC7=CC=C(N=NC8=CC=C(C=C8)S(=O)(=O)[O-])C=C7S(=O)(=O)[O-])C(=C6)C)C(=C5)C


name: Calcium(2+) 5-hexadecylsalicylate
cas: 68540-40-9
formula: C23H38O3.1/2Ca
inchikey: SBVUPGIGCNUENE-UHFFFAOYSA-L
norman_susdat_id: NS00092106
smiles: [Ca+2].CCCCCCCCCCCCCCCCc1ccc(O)c(c1)C(=O)[O-].CCCCCCCCCCCCCCCCc2ccc(O)c(c2)C(=O)[O-]
inchi:
InChI=1/2C23H38O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h2*17-19,24H,2-16H2,1H3,(H,25,26);/q;;+2/p-2


cas: 68540-42-1
chemspiderid: 7850989
dtxsid: DTXSID0071625
formula: C45H29Cl2N7O7
inchikey: FJOVXJODQXFEAB-UHFFFAOYSA-N
norman_susdat_id: NS00036640
pubchem_cid: NA
name:
2-Naphthalenecarboxamide, 4-[(2,3-dichlorophenyl)azo]-3-hydroxy-N-[5-[[[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-2-naphthalenyl]carbonyl]amino]-1-naphthalenyl]-

inchi:
InChI=1S/C45H29Cl2N7O7/c1-61-38-23-26(54(59)60)19-20-36(38)50-52-40-27-11-4-2-9-24(27)21-31(42(40)55)44(57)48-34-16-6-14-30-29(34)13-7-17-35(30)49-45(58)32-22-25-10-3-5-12-28(25)41(43(32)56)53-51-37-18-8-15-33(46)39(37)47/h2-23,50-51H,1H3,(H,48,57)(H,49,58)/b52-40+,53-41+

smiles:
COc1c(N/N=C2/C(=O)C(=Cc3ccccc23)C(=O)Nc2cccc3c2cccc3NC(=O)C2=Cc3ccccc3/C(=NNc3c(Cl)c(Cl)ccc3)/C2=O)ccc(c1)[N+](=O)[O-]


name: Peroxide, 1-methyl-1-[4-methyl-2(or 3)-(1-methylethyl)phenyl]ethyl 1-methyl-1-phenylethyl
cas: 68540-61-4
chemspiderid: 95532
dtxsid: DTXSID0071627
formula: C22H30O2
inchikey: SVGYJYJUDXTBFT-UHFFFAOYSA-N
norman_susdat_id: NS00036641
pubchem_cid: 110484
smiles: CC(C)c1cc(ccc1C)C(C)(C)OOC(C)(C)c1ccccc1
inchi:
InChI=1S/C22H30O2/c1-16(2)20-15-19(14-13-17(20)3)22(6,7)24-23-21(4,5)18-11-9-8-10-12-18/h8-16H,1-7H3


name: 9,10-dihydro-9,10-dioxoanthracene-1-diazonium chloride, compound with zinc dichloride
cas: 68540-77-2
formula: C14H7N2O2.xCl2Zn.xCl
inchikey: NOCUKRVEIPGWDI-UHFFFAOYSA-K
norman_susdat_id: NS00091353
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N
inchi:
InChI=1/C14H7N2O2.3ClH.Zn/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;;;;/h1-7H;3*1H;/q+1;;;;+2/p-3


name: Acetamide, N-[5-[(butylamino)sulfonyl]-2-methoxyphenyl]-
cas: 68540-79-4
chemspiderid: 99179
dtxsid: DTXSID0071629
formula: C13H20N2O4S1
inchikey: BVTDOTROSKUSHO-UHFFFAOYSA-N
norman_susdat_id: NS00036642
pubchem_cid: 110491
smiles: CCCCNS(=O)(=O)c1cc(NC(=O)C)c(OC)cc1
inchi:
InChI=1S/C13H20N2O4S/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)


name: Acetamide, N-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]-
cas: 68540-88-5
chemspiderid: 99190
dtxsid: DTXSID4071633
formula: C13H20N2O4S1
inchikey: WTAJWCCKAVQGJM-UHFFFAOYSA-N
norman_susdat_id: NS00036643
pubchem_cid: 110502
smiles: CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C)c1
inchi:
InChI=1S/C13H20N2O4S/c1-5-15(6-2)20(17,18)11-7-8-13(19-4)12(9-11)14-10(3)16/h7-9H,5-6H2,1-4H3,(H,14,16)


name: Methanone, (2,5-diethoxy-4-nitrophenyl)phenyl-
cas: 68540-89-6
chemspiderid: 95535
dtxsid: DTXSID9071634
formula: C17H17N1O5
inchikey: AHZAMSMMRIEQLK-UHFFFAOYSA-N
norman_susdat_id: NS00036644
pubchem_cid: 110503
smiles: CCOc1cc(C(=O)c2ccccc2)c(OCC)cc1[N+](=O)[O-]
inchi:
InChI=1S/C17H17NO5/c1-3-22-15-11-14(18(20)21)16(23-4-2)10-13(15)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3


name: Disodium 8-[(4-acetamidophenyl)azo]-5-[(4-amino-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate
cas: 68540-97-6
dtxsid: DTXSID50889983
formula: C28H22N6O7S2
inchikey: INVVMWRABJZLHD-UHFFFAOYSA-L
norman_susdat_id: NS00063332
pubchem_cid: NA
inchi:
InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-26(22-9-7-20(15-24(22)28)43(39,40)41)33-34-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N)C=4C=CC(=CC34)S(=O)(=O)[O-])C=5C=CC(=CC25)S(=O)(=O)[O-])C=C1)C


name: Propanamide, N-[3-[[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]-
cas: 68540-98-7
chemspiderid: 150516
dtxsid: DTXSID4071639
formula: C15H21N3O3
inchikey: CJDQTKFXDAUJHA-UHFFFAOYSA-N
norman_susdat_id: NS00036645
pubchem_cid: 172213
smiles: CCC(=O)Nc1ccc(OC)c(NCCOCCC#N)c1
inchi:
InChI=1S/C15H21N3O3/c1-3-15(19)18-12-5-6-14(20-2)13(11-12)17-8-10-21-9-4-7-16/h5-6,11,17H,3-4,8-10H2,1-2H3,(H,18,19)


name: Acetamide, N-[3-[[8-(acetylamino)-2-hydroxy-1-naphthalenyl]azo]-2-hydroxy-5-nitrophenyl]-
cas: 68540-99-8
chemspiderid: 7850990
dtxsid: DTXSID3071640
formula: C20H17N5O6
inchikey: LAESNCGSUIZTJV-UHFFFAOYSA-N
norman_susdat_id: NS00036646
pubchem_cid: NA
smiles: CC(=O)Nc1cccc2c1/C(=N/Nc1cc(cc(NC(=O)C)c1O)[N+](=O)[O-])/C(=O)C=C2
inchi:
InChI=1S/C20H17N5O6/c1-10(26)21-14-5-3-4-12-6-7-17(28)19(18(12)14)24-23-16-9-13(25(30)31)8-15(20(16)29)22-11(2)27/h3-9,23,29H,1-2H3,(H,21,26)(H,22,27)/b24-19+


name: 2,3,4,5-Tetrachloro-6-[3-(perfluoroheptyl)sulfonyloxyphenylamino]carbonylbenzoate potassium
cas: 68541-01-5
chemspiderid: 99202
dtxsid: DTXSID50887449
formula: C21H6Cl4F15N1O6S1
inchikey: ZDHIRPVPPDUQGP-UHFFFAOYSA-N
norman_susdat_id: NS00011409
pubchem_cid: 110518
inchi:
InChI=1S/C21H6Cl4F15NO6S.K/c22-9-7(8(14(43)44)10(23)12(25)11(9)24)13(42)41-5-2-1-3-6(4-5)47-48(45,46)21(39,40)19(34,35)17(30,31)15(26,27)16(28,29)18(32,33)20(36,37)38;/h1-4H,(H,41,42)(H,43,44);/q;+1/p-1

smiles:
C2=C(NC(=O)C1=C(Cl)C(=C(Cl)C(=C1C([O-])=O)Cl)Cl)C=CC=C2O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]


name: 2,3,4,5-Tetrachloro-6-[3-[(perfluoropentyl)sulfonyloxy]phenylaminocarbonyl]benzoate potassium salt
cas: 68541-02-6
chemspiderid: 99204
dtxsid: DTXSID60887450
formula: C19H6Cl4F11N1O6S1
inchikey: RBHRIWMPJOQTPX-UHFFFAOYSA-N
norman_susdat_id: NS00011428
pubchem_cid: 110520
inchi:
InChI=1S/C19H6Cl4F11NO6S.K/c20-9-7(8(14(37)38)10(21)12(23)11(9)22)13(36)35-5-2-1-3-6(4-5)41-42(39,40)19(33,34)17(28,29)15(24,25)16(26,27)18(30,31)32;/h1-4H,(H,35,36)(H,37,38);/q;+1/p-1

smiles:
C2=C(NC(=O)C1=C(Cl)C(=C(Cl)C(=C1C([O-])=O)Cl)Cl)C=CC=C2O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]


name: Acetamide, N-phenyl-N-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propenyl]-
cas: 68541-03-7
chemspiderid: 4942109
dtxsid: DTXSID3071642
formula: C17H17N3O4
inchikey: NOXHIROCWZYZHM-UHFFFAOYSA-N
norman_susdat_id: NS00036647
pubchem_cid: 110521
smiles: CN1C(=O)N(C)C(=O)C(=C/C=C/N(C(=O)C)c2ccccc2)C1=O
inchi:
InChI=1S/C17H17N3O4/c1-12(21)20(13-8-5-4-6-9-13)11-7-10-14-15(22)18(2)17(24)19(3)16(14)23/h4-11H,1-3H3/b11-7+


cas: 68541-05-9
chemspiderid: 4942110
dtxsid: DTXSID8071643
formula: C23H21N5O4S1
inchikey: JWBWZXYYSAFVDI-UHFFFAOYSA-N
norman_susdat_id: NS00036648
pubchem_cid: 110522
smiles: CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(=O)(=O)O
name:
Benzenesulfonic acid, 4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C23H21N5O4S/c1-17-22(23(29)28(26-17)20-8-10-21(11-9-20)33(30,31)32)16-18-4-6-19(7-5-18)27(14-2-12-24)15-3-13-25/h4-11,16H,2-3,14-15H2,1H3,(H,30,31,32)/b22-16+


cas: 68541-06-0
dtxsid: DTXSID20887451
formula: C21H20N4O9S
inchikey: LPWLXKNBOCPXEE-UHFFFAOYSA-N
norman_susdat_id: NS00063112
pubchem_cid: 110523
smiles: O=C(OCC)C1=NN(C(=O)C1C=CC=C2C(=O)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)S(=O)(=O)O
name:
3-ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)prop-1-enyl]-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C21H20N4O9S/c1-4-34-20(29)16-14(6-5-7-15-17(26)23(2)21(30)24(3)18(15)27)19(28)25(22-16)12-8-10-13(11-9-12)35(31,32)33/h5-11,14H,4H2,1-3H3,(H,31,32,33)


name: 1-(bis(2-(1,3-dimethylbutylideneamino)ethyl)amino)-3-phenoxypropan-2-ol
cas: 68541-07-1
dtxsid: DTXSID90867669
formula: C25H43N3O2
inchikey: JSDNIAKHCKUYDD-UHFFFAOYSA-N
norman_susdat_id: NS00064379
pubchem_cid: 109460
smiles: OC(COC=1C=CC=CC1)CN(CCN=C(C)CC(C)C)CCN=C(C)CC(C)C
inchi:
InChI=1/C25H43N3O2/c1-20(2)16-22(5)26-12-14-28(15-13-27-23(6)17-21(3)4)18-24(29)19-30-25-10-8-7-9-11-25/h7-11,20-21,24,29H,12-19H2,1-6H3


name: Dipotassium tridecan-1-yl phosphate
cas: 68541-11-7
formula: C13H29O4P.2K
inchikey: BAQMXNHOFSFWHH-UHFFFAOYSA-L
norman_susdat_id: NS00092120
smiles: [K+].[K+].CCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C13H29O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;/h2-13H2,1H3,(H2,14,15,16);;/q;2*+1/p-2


name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dinonan-1-oate
cas: 68541-12-8
formula: C24H46O5
inchikey: OSWACFGNXYGNIT-UHFFFAOYSA-N
norman_susdat_id: NS00063383
pubchem_cid: 110527
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCC)CC)CCCCCCCC
inchi:
InChI=1/C24H46O5/c1-4-7-9-11-13-15-17-22(26)28-20-24(6-3,19-25)21-29-23(27)18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3


name: 2,2'-[(1-methylethylidene)bis[(3,5-dibromo-4,1-phenylene)oxymethylene]]bisoxirane
cas: 68541-19-5
formula: C21H20Br4O4
inchikey: JOXXKTSUXPMMOJ-UHFFFAOYSA-N
norman_susdat_id: NS00092121
smiles: CC(C)(c1c(Br)cc(OCC2CO2)cc1Br)c3c(Br)cc(OCC4CO4)cc3Br
inchi:
InChI=1/C21H20Br4O4/c1-21(2,19-15(22)3-11(4-16(19)23)26-7-13-9-28-13)20-17(24)5-12(6-18(20)25)27-8-14-10-29-14/h3-6,13-14H,7-10H2,1-2H3


name: Trimethylolpropane triisostearate
cas: 68541-50-4
chemspiderid: 99210
dtxsid: DTXSID8071645
formula: C60H116O6
inchikey: RKJGFHYCZPZJPE-UHFFFAOYSA-N
norman_susdat_id: NS00007167
pubchem_cid: 110529
smiles: CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C60H116O6/c1-8-60(51-64-57(61)48-42-36-30-24-18-12-9-15-21-27-33-39-45-54(2)3,52-65-58(62)49-43-37-31-25-19-13-10-16-22-28-34-40-46-55(4)5)53-66-59(63)50-44-38-32-26-20-14-11-17-23-29-35-41-47-56(6)7/h54-56H,8-53H2,1-7H3


name: 1-Docosanone, 1-[2,3,4(or 3,4,5)-trihydroxyphenyl]-
cas: 68541-51-5
chemspiderid: 95547
dtxsid: DTXSID3071646
formula: C28H48O4
inchikey: JTAVJLZEIMQXIL-UHFFFAOYSA-N
norman_susdat_id: NS00036649
pubchem_cid: 110530
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(O)c1O
inchi:
InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)24-22-23-26(30)28(32)27(24)31/h22-23,30-32H,2-21H2,1H3


cas: 68541-79-7
dtxsid: DTXSID20882744
norman_susdat_id: NS00109613
name:
2-Propenoic acid, 2-methyl-, 3-(triethoxysilyl)propyl ester, polymer with ethenylbenzene, 2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl 2-propenoate and 2-hydroxyethyl 2-propenoate


cas: 68541-80-0
dtxsid: DTXSID20882941
norman_susdat_id: NS00109633
name:
2-Propenoic acid, polymer with 2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl 2-methyl-2-propenoate and octadecyl 2-propenoate


cas: 68541-84-4
formula: C16H24O6
norman_susdat_id: NS00101569
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[(1-oxo-2-propenyl)oxy]-, ether with 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate (2:1)


cas: 68554-54-1
dtxsid: DTXSID80894803
norman_susdat_id: NS00075996
name:
Siloxanes and Silicones, di-Me, polymers with 3-[(2-aminoethyl)amino]propyl silsesquioxanes, hydroxy-terminated


cas: 68554-64-3
dtxsid: DTXSID8099754
norman_susdat_id: NS00113091
name:
Siloxanes and Silicones, di-Me, polymers with Me silsesquioxanes and polypropylene glycol mono-Bu ether


cas: 68554-65-4
dtxsid: DTXSID3099755
norman_susdat_id: NS00113092
name:
Siloxanes and Silicones, di-Me, polymers with Me silsesquioxanes and polyethylene-polypropylene glycol mono-Bu ether


name: Phenylacetaldehyde diisoamyl acetal
cas: 68555-28-2
chemspiderid: 98415
dtxsid: DTXSID8071647
formula: C18H30O2
inchikey: SVLVFYGIGOCFCD-UHFFFAOYSA-N
norman_susdat_id: NS00013132
pubchem_cid: 109464
smiles: CC(C)CCOC(Cc1ccccc1)OCCC(C)C
inchi:
InChI=1S/C18H30O2/c1-15(2)10-12-19-18(20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3


name: 2-Nonene, 1,1'-oxybis-
cas: 68555-30-6
chemspiderid: 4942113
dtxsid: DTXSID8071649
formula: C18H34O1
inchikey: BRQPOXYJCYNNRQ-UHFFFAOYSA-N
norman_susdat_id: NS00036651
pubchem_cid: NA
smiles: CCCCCC/C=C/COC/C=C/CCCCCC
inchi:
InChI=1S/C18H34O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3/b15-13+,16-14+


name: Bis[(6-methylcyclohex-3-enyl)methyl] adipate
cas: 68555-34-0
dtxsid: DTXSID00887459
formula: C22H34O4
inchikey: FVBFUZKTISMNMG-UHFFFAOYSA-N
norman_susdat_id: NS00062996
pubchem_cid: 50215
smiles: O=C(OCC1CC=CCC1C)CCCCC(=O)OCC2CC=CCC2C
inchi:
InChI=1/C22H34O4/c1-17-9-3-5-11-19(17)15-25-21(23)13-7-8-14-22(24)26-16-20-12-6-4-10-18(20)2/h3-6,17-20H,7-16H2,1-2H3


cas: 68555-40-8
formula: C25H29N2O2Se2.I
inchi: -
inchikey: ASRVKUKDAHSKCZ-UHFFFAOYSA-M
norman_susdat_id: NS00091542
smiles: [I-].CC[n+]3c4cc(OC)ccc4[se]c3C=C(CC)C=C2[Se]c1ccc(cc1N2CC)OC
name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5-methoxybenzoselenazolium iodide


name: 1H-Pyrrole-2,5-dione, 1,1'-[1,2-ethanediylbis(thio-2,1-phenylene)]bis-
cas: 68555-54-4
chemspiderid: 95569
dtxsid: DTXSID2071651
formula: C22H16N2O4S2
inchikey: IMRULEJVIHQQKE-UHFFFAOYSA-N
norman_susdat_id: NS00036653
pubchem_cid: 110539
smiles: O=C1C=CC(=O)N1c1c(SCCSc2c(cccc2)N2C(=O)C=CC2=O)cccc1
inchi:
InChI=1S/C22H16N2O4S2/c25-19-9-10-20(26)23(19)15-5-1-3-7-17(15)29-13-14-30-18-8-4-2-6-16(18)24-21(27)11-12-22(24)28/h1-12H,13-14H2


name: 1H-Pyrrole-2,5-dione, 1,1'-(sulfonyldi-3,1-phenylene)bis-
cas: 68555-55-5
chemspiderid: 95570
dtxsid: DTXSID7071652
formula: C20H12N2O6S1
inchikey: RNSJLHIBGRARKK-UHFFFAOYSA-N
norman_susdat_id: NS00036654
pubchem_cid: 110540
smiles: O=C1C=CC(=O)N1c1cccc(c1)S(=O)(=O)c1cc(ccc1)N1C(=O)C=CC1=O
inchi:
InChI=1S/C20H12N2O6S/c23-17-7-8-18(24)21(17)13-3-1-5-15(11-13)29(27,28)16-6-2-4-14(12-16)22-19(25)9-10-20(22)26/h1-12H


name: 1,3-Diazetidine-2,4-dione, 1,3-bis(4-isocyanato-3-methylphenyl)-
cas: 68555-56-6
chemspiderid: 95571
dtxsid: DTXSID2071653
formula: C18H12N4O4
inchikey: FFCQMNGJCHMYPZ-UHFFFAOYSA-N
norman_susdat_id: NS00036655
pubchem_cid: 110541
smiles: Cc1cc(ccc1N=C=O)N1C(=O)N(C1=O)c1cc(C)c(cc1)N=C=O
inchi:
InChI=1S/C18H12N4O4/c1-11-7-13(3-5-15(11)19-9-23)21-17(25)22(18(21)26)14-4-6-16(20-10-24)12(2)8-14/h3-8H,1-2H3


name: 3,7-dimethyloct-6-enyl 2-aminobenzoate
cas: 68555-57-7
chebiid: CHEBI:172321
dtxsid: DTXSID40867674
formula: C17H25NO2
inchikey: LSJVFMHIFWWGDY-UHFFFAOYSA-N
norman_susdat_id: NS00062760
pubchem_cid: 109467
smiles: O=C(OCCC(C)CCC=C(C)C)C=1C=CC=CC1N
inchi:
InChI=1/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3


name: 1-Heptanesulfinic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-, sodium salt
cas: 68555-66-8
chemspiderid: NA
dtxsid: DTXSID2071655
formula: C7H1F15O2S1
inchikey: PCGFFOXXPIGVKC-UHFFFAOYSA-N
norman_susdat_id: NS00011411
pubchem_cid: 110546
smiles: O=[S]([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
inchi:
InChI=1S/C7HF15O2S./c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)25(23)24;/h(H,23,24);/q;+1/p-1


name: 1-Octanesulfinic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, sodium salt
cas: 68555-67-9
chemspiderid: NA
dtxsid: DTXSID7071656
formula: C8H1F17O2S1
inchikey: DFCYBFLXCKGZML-UHFFFAOYSA-N
norman_susdat_id: NS00011413
pubchem_cid: 110548
smiles: O=[S]([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
inchi:
InChI=1S/C8HF17O2S./c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)28(26)27;/h(H,26,27);/q;+1/p-1


name: Sodium N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycinate
cas: 68555-68-0
formula: C8H8F9NO4S.Na
inchikey: VWFMQKTZSJCNCT-UHFFFAOYSA-M
norman_susdat_id: NS00091566
smiles: [Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8H8F9NO4S.Na/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1


name: Sodium N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate
cas: 68555-69-1
formula: C9H8F11NO4S.Na
inchikey: SIFGZBWKMXVQBP-UHFFFAOYSA-M
norman_susdat_id: NS00091567
smiles: [Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C9H8F11NO4S.Na/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1


name: Sodium N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycinate
cas: 68555-70-4
formula: C10H8F13NO4S.Na
inchikey: XAXWDRWBIJWGHX-UHFFFAOYSA-M
norman_susdat_id: NS00091568
smiles: [Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10H8F13NO4S.Na/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21;/h2-3H2,1H3,(H,25,26);/q;+1/p-1


name: Sodium N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycinate
cas: 68555-71-5
formula: C11H8F15NO4S.Na
inchikey: SZZXUXGPSCPVMV-UHFFFAOYSA-M
norman_susdat_id: NS00091434
smiles: [Na+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H8F15NO4S.Na/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;/h2-3H2,1H3,(H,28,29);/q;+1/p-1


name: 1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
cas: 68555-72-6
chemspiderid: 99228
dtxsid: DTXSID6071661
formula: C9H10F11N1O3S1
inchikey: GBPAQIZWHVCENQ-UHFFFAOYSA-N
norman_susdat_id: NS00009531
pubchem_cid: 110553
smiles: CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H10F11NO3S/c1-2-21(3-4-22)25(23,24)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h22H,2-4H2,1H3


name: N-Ethyl--N-(2-hydroxyethyl)perfluoroheptanesulfonamide
cas: 68555-73-7
chemspiderid: 99229
dtxsid: DTXSID1071662
formula: C11H10F15N1O3S1
inchikey: HINASMOVWHGCAK-UHFFFAOYSA-N
norman_susdat_id: NS00009942
pubchem_cid: 110554
smiles: CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F15NO3S/c1-2-27(3-4-28)31(29,30)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h28H,2-4H2,1H3


name: N-(2-Hydroxyethyl)-N-methylperfluorohexanesulfonamide
cas: 68555-75-9
chemspiderid: 99231
dtxsid: DTXSID1071664
formula: C9H8F13N1O3S1
inchikey: UYIBZOUSVFOPJK-UHFFFAOYSA-N
norman_susdat_id: NS00011246
pubchem_cid: 110556
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CO
inchi:
InChI=1S/C9H8F13NO3S/c1-23(2-3-24)27(25,26)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h24H,2-3H2,1H3


name: N-(2-Hydroxyethyl)-N-methyl-perfluoroheptanesulfonamide
cas: 68555-76-0
chemspiderid: 99232
dtxsid: DTXSID6071665
formula: C10H8F15N1O3S1
inchikey: UIZUTEDYGNRNSW-UHFFFAOYSA-N
norman_susdat_id: NS00011251
pubchem_cid: 110557
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CO
inchi:
InChI=1S/C10H8F15NO3S/c1-26(2-3-27)30(28,29)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h27H,2-3H2,1H3


name: Perfluoropentane sulfonamido amine
cas: 68555-78-2
chemspiderid: 99234
dtxsid: DTXSID6071667
formula: C10H13F11N2O2S1
inchikey: VGJZPFMDBNZBTG-UHFFFAOYSA-N
norman_susdat_id: NS00011244
pubchem_cid: 110559
smiles: C(N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCN(C)C
inchi:
InChI=1S/C10H13F11N2O2S/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h22H,3-5H2,1-2H3


name: Glycine, N-ethyl-N-[(undecafluoropentyl)sulfonyl]-, ethyl ester
cas: 68555-79-3
chemspiderid: 99235
dtxsid: DTXSID1071668
formula: C11H12F11N1O4S1
inchikey: YEORWLLYWQFDEW-UHFFFAOYSA-N
norman_susdat_id: NS00011312
pubchem_cid: 110560
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)OCC)C
inchi:
InChI=1S/C11H12F11NO4S/c1-3-23(5-6(24)27-4-2)28(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h3-5H2,1-2H3


name: Trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium chloride
cas: 68555-81-7
formula: C13H16F15N2O2S.Cl
inchikey: DEWPQMPVQKTNFF-UHFFFAOYSA-M
norman_susdat_id: NS00092065
smiles: [Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H16F15N2O2S.ClH/c1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;/h29H,4-6H2,1-3H3;1H/q+1;/p-1


name: Sodium 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]benzenesulphonate
cas: 68555-86-2
dtxsid: DTXSID7044718
formula: C21H20N4O5S
inchikey: DBSJKTVELUTRJM-UHFFFAOYSA-M
norman_susdat_id: NS00063023
pubchem_cid: 50218
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(OC)C=C3)=CC2C)C=C1
inchi:
InChI=1/C21H20N4O5S.Na/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28;/h4-13H,1-3H3,(H,26,27,28);/q;+1/p-1


name: Prosulpride
cas: 68556-59-2
dtxsid: DTXSID10874855
formula: C16H25N3O4S
inchikey: SZEAUPPGLDXGJG-UHFFFAOYSA-N
norman_susdat_id: NS00063241
pubchem_cid: 68880
smiles: O=C(NCC1N(CCC)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N
inchi:
InChI=1/C16H25N3O4S/c1-3-8-19-9-4-5-12(19)11-18-16(20)14-10-13(24(17,21)22)6-7-15(14)23-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,20)(H2,17,21,22)


name: 5-Acetamido-3-amino-2-hydroxybenzenesulphonic acid
cas: 6856-14-0
chemspiderid: 73352
dtxsid: DTXSID80218666
formula: C8H10N2O5S1
inchikey: FVELBSCPKVNJHA-UHFFFAOYSA-N
norman_susdat_id: NS00036660
pubchem_cid: 81297
smiles: CC(=O)Nc1cc(c(O)c(N)c1)S(=O)(=O)O
inchi:
InChI=1S/C8H10N2O5S/c1-4(11)10-5-2-6(9)8(12)7(3-5)16(13,14)15/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)


name: 1-(3-hydroxy-1,1-diphenylpropyl)piperidinium methanesulphonate
cas: 6856-31-1
dtxsid: DTXSID40218667
formula: C20H25NO
inchikey: QZRXLSWXZVHIEL-UHFFFAOYSA-N
norman_susdat_id: NS00045205
pubchem_cid: 21124440
smiles: O=S(=O)([O-])C.OCCC(C=1C=CC=CC1)(C=2C=CC=CC2)[NH+]3CCCCC3
inchi:
InChI=1/C20H25NO.CH4O3S/c22-17-14-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-15-8-3-9-16-21;1-5(2,3)4/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H3,(H,2,3,4)


name: Mekasermin
cas: 68562-41-4
inchikey: LAMDNSOIUVRQNV-CERJTIPZSA-N
norman_susdat_id: NS00078789
smiles:
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)[C@@H](C)O)CCC(=O)N)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO)CO)Cc6ccc(cc6)O)[C@@H](C)O)CCCCN)CC(=O)N)Cc7ccccc7)Cc8ccc(cc8)O)Cc9ccccc9)CCCNC(=N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CO)CCCNC(=N)N)Cc1ccccc1)NC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN)C)CCC(=O)O)CC(C)C)C(C)C)CC(=O)O)C)CC(C)C)CCC(=O)N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)Cc1ccc(cc1)O)CCSC)CCC(=O)O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CC(=O)O)CCC(=O)O)CC(=O)O)C(C)C


name: Tris(methoxymethyl)tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine
cas: 68568-46-7
formula: C66H132N6O6
inchikey: TUPPVJRQLQHRHV-UHFFFAOYSA-N
norman_susdat_id: NS00062811
pubchem_cid: 21118155
smiles: N=1C(=NC(=NC1N(COC)COCCCCCCCCCCCCCCCCCC)N(COCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)N(COC)COC
inchi:
InChI=1/C66H132N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-71(60-75-6)65-67-64(70(58-73-4)59-74-5)68-66(69-65)72(62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h7-63H2,1-6H3


name: (dichlorobenzyl)dimethyltetradecylammonium chloride
cas: 68568-47-8
dtxsid: DTXSID20897378
formula: C23H40Cl2N
inchikey: XDWIXQICVFNIMI-UHFFFAOYSA-M
norman_susdat_id: NS00062812
pubchem_cid: 172234
smiles: [Cl-].ClC1=CC=CC(=C1Cl)C[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26(2,3)20-21-17-16-18-22(24)23(21)25;/h16-18H,4-15,19-20H2,1-3H3;1H/q+1;/p-1


name: Potassium tridecan-1-yl hydrogen phosphate
cas: 68568-53-6
formula: C26H55O4P.K
inchikey: SDVLUEMOPUZMSM-UHFFFAOYSA-M
norman_susdat_id: NS00091458
smiles: [K+].CCCCCCCCCCCCCOP(=O)(O)[O-]
inchi:
InChI=1/C13H29O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+1/p-1


name: Potassium 6-(((3-(perfluorobutylsulphonyloxy)phenyl)amino)carbonyl)perchlorobenzoate
cas: 68568-54-7
chemspiderid: 99266
dtxsid: DTXSID90880616
formula: C18H6Cl4F9N1O6S1
inchikey: MXZQWVAPKMXMBF-UHFFFAOYSA-N
norman_susdat_id: NS00011408
pubchem_cid: 110596
inchi:
InChI=1S/C18H6Cl4F9NO6S.K/c19-9-7(8(14(34)35)10(20)12(22)11(9)21)13(33)32-5-2-1-3-6(4-5)38-39(36,37)18(30,31)16(25,26)15(23,24)17(27,28)29;/h1-4H,(H,32,33)(H,34,35);/q;+1/p-1

smiles:
C1=C(O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=CC=C1NC(=O)C2=C(C(=C(Cl)C(=C2Cl)Cl)Cl)C([O-])=O.[K+]


name: Methanone, (4-amino-2,5-diethoxyphenyl)phenyl-
cas: 68568-55-8
chemspiderid: 99268
dtxsid: DTXSID3071696
formula: C17H19N1O3
inchikey: JJQRIDJHQBSNFI-UHFFFAOYSA-N
norman_susdat_id: NS00036662
pubchem_cid: 110597
smiles: CCOc1cc(C(=O)c2ccccc2)c(OCC)cc1N
inchi:
InChI=1S/C17H19NO3/c1-3-20-15-11-14(18)16(21-4-2)10-13(15)17(19)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3


cas: 68568-82-1
dtxsid: DTXSID30892430
formula: C49H79N3O3
inchikey: RWWNWXPUTUJRBY-UHFFFAOYSA-L
norman_susdat_id: NS00063306
pubchem_cid: 110601
smiles: [Ca+2].[O-]C1=CC=C(C=C1CNCCN(CC2=CC(=CC=C2O)CCCCCCCC)CCNCC3=CC(=CC=C3[O-])CCCCCCCC)CCCCCCCC
name:
Calcium 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(ethane-1,2-diyliminomethylene)]bis[4-octylphenolate]

inchi:
InChI=1/C49H79N3O3.Ca/c1-4-7-10-13-16-19-22-41-25-28-47(53)44(35-41)38-50-31-33-52(40-46-37-43(27-30-49(46)55)24-21-18-15-12-9-6-3)34-32-51-39-45-36-42(26-29-48(45)54)23-20-17-14-11-8-5-2;/h25-30,35-37,50-51,53-55H,4-24,31-34,38-40H2,1-3H3;/q;+2/p-2


name: N-Coumaroyl serotonin
cas: 68573-24-0
chebiid: CHEBI:175113
chemspiderid: 301474
dtxsid: DTXSID10173951
formula: C19H18N2O3
inchikey: WLZPAFGVOWCVMG-FPYGCLRLSA-N
norman_susdat_id: NS00018357
pubchem_cid: 5458879
smiles: C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
inchi:
InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+


name: Propanedinitrile, [[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]methylene]-
cas: 6858-49-7
chemspiderid: 73354
dtxsid: DTXSID7064495
formula: C22H22N4O2
inchikey: KVQZMLBWGHLHTR-UHFFFAOYSA-N
norman_susdat_id: NS00036665
pubchem_cid: 81299
smiles: CCN(CCOC(=O)Nc1ccccc1)c1cc(C)c(C=C(C#N)C#N)cc1
inchi:
InChI=1S/C22H22N4O2/c1-3-26(11-12-28-22(27)25-20-7-5-4-6-8-20)21-10-9-19(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)


name: Benzenamine, 4,4'-[[4-(diethylamino)phenyl]methylene]bis[N,N-diethyl-3-methyl-
cas: 68582-45-6
chemspiderid: 99276
dtxsid: DTXSID8071699
formula: C33H47N3
inchikey: JDEVVVLLEIZNAL-UHFFFAOYSA-N
norman_susdat_id: NS00036664
pubchem_cid: 110605
smiles: CCN(CC)c1ccc(cc1)C(c1c(C)cc(cc1)N(CC)CC)c1c(C)cc(cc1)N(CC)CC
inchi:
InChI=1S/C33H47N3/c1-9-34(10-2)28-17-15-27(16-18-28)33(31-21-19-29(23-25(31)7)35(11-3)12-4)32-22-20-30(24-26(32)8)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3


name: Benzenesulfonic acid, dodecyl-, cerium(3+) salt, basic
cas: 68584-29-2
formula: -
inchikey: DPEWQGPKOFFVOR-UHFFFAOYSA-M
norman_susdat_id: NS00090062
smiles: [Ce+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Ce/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+3/p-1


cas: 68584-47-4
norman_susdat_id: NS00112567
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-, branched, phosphates, potassium salts


name: PX-478
cas: 685847-78-3
dtxsid: DTXSID40218687
formula: C13H18Cl2N2O3
inchikey: GSKQMLGAUOTSKT-LBPRGKRZSA-N
norman_susdat_id: NS00068494
pubchem_cid: 11234795
smiles: N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O
inchi:
InChI=1S/C13H18Cl2N2O3/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1


name: Dodecyl toluenesulphonate, compound with 2,2'-iminodiethanol (1:1)
cas: 68585-98-8
dtxsid: DTXSID0071700
formula: C19H32O3S
inchikey: WEKZXOHDZCUPFR-UHFFFAOYSA-N
norman_susdat_id: NS00059984
pubchem_cid: 21125047
smiles: O=S(=O)(OCCCCCCCCCCCC)C=1C=CC=CC1C.OCCNCCO
inchi:
InChI=1/C19H32O3S.C4H11NO2/c1-3-4-5-6-7-8-9-10-11-14-17-22-23(20,21)19-16-13-12-15-18(19)2;6-3-1-5-2-4-7/h12-13,15-16H,3-11,14,17H2,1-2H3;5-7H,1-4H2


name: Dodecyl 4-chloro-3,5-bis[(4,4-dimethyl-1,3-dioxopentyl)amino]benzoate
cas: 68588-50-1
dtxsid: DTXSID50988263
formula: C33H51ClN2O6
inchikey: YXVUOBYQSNUQSZ-UHFFFAOYSA-N
norman_susdat_id: NS00063257
pubchem_cid: 3017866
smiles: O=C(OCCCCCCCCCCCC)C=1C=C(NC(=O)CC(=O)C(C)(C)C)C(Cl)=C(C1)NC(=O)CC(=O)C(C)(C)C
inchi:
InChI=1/C33H51ClN2O6/c1-8-9-10-11-12-13-14-15-16-17-18-42-31(41)23-19-24(35-28(39)21-26(37)32(2,3)4)30(34)25(20-23)36-29(40)22-27(38)33(5,6)7/h19-20H,8-18,21-22H2,1-7H3,(H,35,39)(H,36,40)


name: N,N-dibenzyl-3'-isopropyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 68589-67-3
dtxsid: DTXSID10988264
formula: C34H31NO2
inchikey: WUAHZVGJWCSXNW-UHFFFAOYSA-N
norman_susdat_id: NS00061698
pubchem_cid: 18997715
smiles: O1C=2C=CC=CC2C=C(C(C)C)C13OC=4C=C(C=CC4C=C3)N(CC=5C=CC=CC5)CC=6C=CC=CC6
inchi:
InChI=1/C34H31NO2/c1-25(2)31-21-29-15-9-10-16-32(29)36-34(31)20-19-28-17-18-30(22-33(28)37-34)35(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-22,25H,23-24H2,1-2H3


cas: 6859-12-7
formula: C44H34N8O16S3
inchikey: RSUUBRPTBPEKGS-UHFFFAOYSA-J
norman_susdat_id: NS00045206
pubchem_cid: NA
name:
Tetrasodium 5-[[4-[[[4-[[4-[[8-(acetylamino)-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3-ethoxy-7-sulphonato-1-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C44H34N8O16S3.4Na/c1-3-68-37-21-34(50-48-27-10-8-25(9-11-27)46-43(56)23-4-6-26(7-5-23)47-49-28-12-15-36(54)33(18-28)44(57)58)32-19-29(69(59,60)61)13-14-31(32)40(37)51-52-41-38(71(65,66)67)17-24-16-30(70(62,63)64)20-35(45-22(2)53)39(24)42(41)55;;;;/h4-21,54-55H,3H2,1-2H3,(H,45,53)(H,46,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC=4C=C(OCC)C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])=C7C=CC(=CC47)S(=O)(=O)[O-])C=C3)=CC=C1O


name: 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid
cas: 68594-62-7
formula: C19H15F3N4O5S
inchikey: WZMFZOXPBUCMPA-UHFFFAOYSA-N
norman_susdat_id: NS00090788
smiles: CC(=O)Nc3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O)c(c3)C(F)(F)F
inchi:
InChI=1/C19H15F3N4O5S/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31)


name: Dodecyl 4-chloro-3,5-diaminobenzoate
cas: 68599-63-3
dtxsid: DTXSID40988272
formula: C19H31ClN2O2
inchikey: XJRJTEVLZCXJBA-UHFFFAOYSA-N
norman_susdat_id: NS00063258
pubchem_cid: 3017869
smiles: O=C(OCCCCCCCCCCCC)C1=CC(N)=C(Cl)C(N)=C1
inchi:
InChI=1/C19H31ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(21)18(20)17(22)14-15/h13-14H,2-12,21-22H2,1H3


name: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-
cas: 6860-97-5
chemspiderid: 73355
dtxsid: DTXSID2064496
formula: C17H15N1O9S3
inchikey: QVLDIIYDXICVCJ-UHFFFAOYSA-N
norman_susdat_id: NS00001603
pubchem_cid: 81300
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)


cas: 68604-71-7
dtxsid: DTXSID1029467
norman_susdat_id: NS00113317
name:
Imidazolium compounds, 1-[2-(2-carboxyethoxy)ethyl]-1(or 3)-(2-carboxyethyl)-4,5-dihydro-2-norcoco alkyl, hydroxides, disodium salts


name: Sulfonamides, C4-8-alkane, perfluoro, N-ethyl-N-(hydroxyethyl), reaction products with TDI
cas: 68608-13-9
chemspiderid: NA
dtxsid: DTXSID50100367
formula: C25H28F18N4O8S2
inchikey: NSMGTPZGZBMGJW-UHFFFAOYSA-N
norman_susdat_id: NS00010177
pubchem_cid: NA
inchi:
InChI=1S/C25H28F18N4O8S2/c1-4-46(56(50,51)24(40,41)20(30,31)18(26,27)22(34,35)36)8-10-54-16(48)44-14-7-6-13(3)15(12-14)45-17(49)55-11-9-47(5-2)57(52,53)25(42,43)21(32,33)19(28,29)23(37,38)39/h6-7,12,16,44,48H,4-5,8-11H2,1-3H3,(H,45,49)

smiles:
CCN(CCOC(O)Nc1ccc(C)c(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 68608-14-0
chemspiderid: NA
dtxsid: DTXSID00882969
formula: C31H30F18N4O8S2
inchikey: NZFJKENHQWURBX-UHFFFAOYSA-N
norman_susdat_id: NS00009183
pubchem_cid: NA
name:
Sulfonamides, C4-8-alkane, perfluoro, N-ethyl-N-(hydroxyethyl), reaction products with 1,1'-methylenebis[4-isocyanatobenzene]

inchi:
InChI=1S/C31H30F18N4O8S2/c1-3-52(62(56,57)30(46,47)26(36,37)24(32,33)28(40,41)42)13-15-60-22(54)50-20-9-5-18(6-10-20)17-19-7-11-21(12-8-19)51-23(55)61-16-14-53(4-2)63(58,59)31(48,49)27(38,39)25(34,35)29(43,44)45/h5-12H,3-4,13-17H2,1-2H3,(H,50,54)(H,51,55)

smiles:
CCN(CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Benzenamine, 2-ethyl-N-(2-ethylphenyl)-, (tripropenyl) derivs.
cas: 68608-77-5
dtxsid: DTXSID8028765
formula: C25H31N
inchikey: CJFAGAXJFSYDLE-UHFFFAOYSA-N
norman_susdat_id: NS00061983
pubchem_cid: 22833360
smiles: C=CCC=1C=C(NC2=CC=CC(=C2CC)CC=C)C(=C(C1)CC=C)CC
inchi:
InChI=1/C25H31N/c1-6-12-19-17-21(14-8-3)23(10-5)25(18-19)26-24-16-11-15-20(13-7-2)22(24)9-4/h6-8,11,15-18,26H,1-3,9-10,12-14H2,4-5H3


name: Benzenesulfonic acid, mono-C11-13-branched alkyl derivs.
cas: 68608-88-8
dtxsid: DTXSID3028768
formula: C18H30O3S
inchikey: SRIYDGQCJPZPPK-UHFFFAOYSA-N
norman_susdat_id: NS00066295
pubchem_cid: 14151435
smiles: O=S(=O)(O)C1=CC=C(C=C1)C(C)CC(C)CC(C)CC(C)C
inchi:
InChI=1/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)


name: Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salts
cas: 68608-89-9
dtxsid: DTXSID0029472
formula: C18H30O3S
inchikey: HLZPFMSGWIVXAK-UHFFFAOYSA-M
norman_susdat_id: NS00066352
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)CCCCCC(CC)CCCC
inchi:
InChI=1/C18H30O3S.Na/c1-3-5-9-16(4-2)10-7-6-8-11-17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1


name: (9Z)-17-carboxy-9-heptadecene-1-sulfonic acid
cas: 68609-93-8
chemspiderid: 4942194
formula: C18H34O5S1
inchikey: HSSSOROKXFGCHN-UHFFFAOYSA-N
norman_susdat_id: NS00008987
pubchem_cid: 111532
smiles: OC(=O)CCCCCCCC=CCCCCCCCCS(O)(=O)=O
inchi:
InChI=1S/C18H34O5S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23/h1-2H,3-17H2,(H,19,20)(H,21,22,23)


cas: 68610-86-6
dtxsid: DTXSID10100500
inchikey: HKBCNTJSSROSSO-UHFFFAOYSA-N
norman_susdat_id: NS00076483
pubchem_cid: 71306913
smiles: Cc1ccc(NC(=O)C(C(=O)C)N=Nc2ccc(c3ccc(N=NC(C(=O)C)C(=O)Nc4ccccc4OC)c(Cl)c3)cc2Cl)c(C)c1
name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,N'-bis(o-anisyl and 2,4-xylyl) derivs.

inchi:
InChI=1S/C35H32Cl2N6O5/c1-19-10-13-27(20(2)16-19)38-34(46)32(21(3)44)42-40-28-14-11-23(17-25(28)36)24-12-15-29(26(37)18-24)41-43-33(22(4)45)35(47)39-30-8-6-7-9-31(30)48-5/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)


cas: 68610-92-4
formula: C6H16NO2
norman_susdat_id: NS00101326
name:
Cellulose, ether with .alpha.-[2-hydroxy-3-(trimethylammonio)propyl]-.omega.-hydroxypoly(oxy-1,2-ethanediyl) chloride


name: 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
cas: 68611-23-4
chemspiderid: 98375
dtxsid: DTXSID80867698
formula: C14H24O1
inchikey: KUZMAEUMYSXKOU-UHFFFAOYSA-N
norman_susdat_id: NS00013274
pubchem_cid: 109420
smiles: CCC(=O)CCC1C(=CCCC1(C)C)C.OCC#C
inchi:
InChI=1S/C14H24O.C3H4O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4;1-2-3-4/h7,13H,5-6,8-10H2,1-4H3;1,4H,3H2


cas: 68611-50-7
norman_susdat_id: NS00076008
name:
Propane, 1,2,3-trichloro-, polymer with 1,1'-[methylenebis(oxy)]bis[2-chloroethane] and sodium sulfide (Na2(Sx)), reduced


cas: 68612-99-7
dtxsid: DTXSID00988298
formula: C37H47ClN2O6
inchikey: BTMSHXNCQMIAAQ-UHFFFAOYSA-N
norman_susdat_id: NS00063576
pubchem_cid: 53439449
smiles: O=C(NC1=CC(OC)=C(Cl)C=C1OC)CC(=O)C=2C=CC=C(C2)NC(=O)CCCOC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC
name:
N-(4-chloro-2,5-dimethoxyphenyl)-3-[m-[[4-(2,4-di-tert-pentylphenoxy)butyryl]amino]phenyl]-3-oxopropionamide

inchi:
InChI=1/C37H47ClN2O6/c1-9-36(3,4)25-16-17-31(27(20-25)37(5,6)10-2)46-18-12-15-34(42)39-26-14-11-13-24(19-26)30(41)23-35(43)40-29-22-32(44-7)28(38)21-33(29)45-8/h11,13-14,16-17,19-22H,9-10,12,15,18,23H2,1-8H3,(H,39,42)(H,40,43)


name: pentahydrosqualene
cas: 68629-07-2
chemspiderid: 4942185
formula: C30H60
inchikey: WTFIBNFIISRGHJ-UHFFFAOYSA-N
norman_susdat_id: NS00003909
pubchem_cid: 111339
smiles: CC(C)CCCC(C)CCCC(C)CCCCC(C)CC=CC(C)CCCC(C)C
inchi:
InChI=1S/C30H60/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h13,23,25-30H,9-12,14-22,24H2,1-8H3


name: Buserelin acetate
cas: 68630-75-1
chebiid: CHEBI:31324
chemspiderid: 45545
dtxsid: DTXSID30218712
formula: C60H86N16O13
inchikey: PYMDEDHDQYLBRT-DRIHCAFSSA-N
norman_susdat_id: NS00036669
pubchem_cid: 50224
inchi:
InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42+,43-,44+,45+,46+,47+,48+/m0/s1

smiles:
CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1


name: Sodium 4-(2-ethylhexyl) 1-octadecyl 2-sulphonatosuccinate
cas: 68630-88-6
dtxsid: DTXSID00988314
formula: C30H58O7S
inchikey: NFZMKXDVVRXKIM-UHFFFAOYSA-M
norman_susdat_id: NS00062034
pubchem_cid: 111341
smiles: [Na+].O=C(OCC(CC)CCCC)CC(C(=O)OCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C30H58O7S.Na/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-30(32)28(38(33,34)35)25-29(31)37-26-27(6-3)23-8-5-2;/h27-28H,4-26H2,1-3H3,(H,33,34,35);/q;+1/p-1


name: Potassium 6-carboxy-4-hexylcyclohex-2-ene-1-octanoate
cas: 68630-89-7
dtxsid: DTXSID80887472
formula: C21H36O4
inchikey: NHPWFESLAMBYTE-UHFFFAOYSA-M
norman_susdat_id: NS00062354
pubchem_cid: 56843691
smiles: [K+].O=C([O-])CCCCCCCC1C=CC(CCCCCC)CC1C(=O)O
inchi:
InChI=1/C21H36O4.K/c1-2-3-4-8-11-17-14-15-18(19(16-17)21(24)25)12-9-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1


cas: 68630-91-1
dtxsid: DTXSID0071704
formula: C20H37N3O6
inchikey: VLHPQAQVMBRLQG-UHFFFAOYSA-L
norman_susdat_id: NS00062561
pubchem_cid: NA
smiles: O=C([O-])CN1CC[NH+](CCN(CCC(=O)[O-])CCC(=O)[O-])C1CCCCCCC
name:
Dihydrogen 1-[2-[bis(2-carboxylatoethyl)amino]ethyl]-3-(carboxylatomethyl)-2-heptyl-4,5-dihydro-1H-imidazolium

inchi:
InChI=1/C20H37N3O6/c1-2-3-4-5-6-7-17-22(14-15-23(17)16-20(28)29)13-12-21(10-8-18(24)25)11-9-19(26)27/h17H,2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)/p-2


name: Disodium 3-[2-(2-carboxylatoethoxy)ethyl]-2-heptyl-2,3-dihydro-1H-imidazole-1-propionate
cas: 68630-92-2
dtxsid: DTXSID70889985
formula: C18H32N2O5
inchikey: PXFFVHGGZGZKRM-UHFFFAOYSA-L
norman_susdat_id: NS00062035
pubchem_cid: 20846224
smiles: [Na+].[Na+].O=C([O-])CCOCCN1C=CN(CCC(=O)[O-])C1CCCCCCC
inchi:
InChI=1/C18H32N2O5.2Na/c1-2-3-4-5-6-7-16-19(10-8-17(21)22)11-12-20(16)13-15-25-14-9-18(23)24;;/h11-12,16H,2-10,13-15H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2


name: Methyl 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-1H-imidazole-1-propionate
cas: 68630-93-3
dtxsid: DTXSID40887473
formula: C20H36N2O5
inchikey: QRPOISBXIZMALK-UHFFFAOYSA-N
norman_susdat_id: NS00063600
pubchem_cid: 111491
smiles: O=C(OC)CCOCCN1C=CN(CCC(=O)OC)C1CCCCCCC
inchi:
InChI=1/C20H36N2O5/c1-4-5-6-7-8-9-18-21(12-10-19(23)25-2)13-14-22(18)15-17-27-16-11-20(24)26-3/h13-14,18H,4-12,15-17H2,1-3H3


name: Dimethyl N-octadecyl-L-aspartate
cas: 68630-94-4
dtxsid: DTXSID00887474
formula: C24H47NO4
inchikey: GMXCEYLGVZDMKZ-QFIPXVFZSA-N
norman_susdat_id: NS00062355
pubchem_cid: 21118768
smiles: O=C(OC)CC(NCCCCCCCCCCCCCCCCCC)C(=O)OC
inchi:
InChI=1/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24(27)29-3)21-23(26)28-2/h22,25H,4-21H2,1-3H3


name: Sodium 2-heptyl-2,3-dihydro-3-(2-hydroxyethyl)-1H-imidazole-1-propionate
cas: 68630-95-5
dtxsid: DTXSID60887475
formula: C15H28N2O3
inchikey: YIJNRGGQSJNTGE-UHFFFAOYSA-M
norman_susdat_id: NS00063601
pubchem_cid: 111344
smiles: [Na+].O=C([O-])CCN1C=CN(CCO)C1CCCCCCC
inchi:
InChI=1/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18;/h10-11,14,18H,2-9,12-13H2,1H3,(H,19,20);/q;+1/p-1


name: 1-(2-Carboxylethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-isoheptadecyl-1H-imidazolium inner salt
cas: 68630-96-6
chemspiderid: 57508653
dtxsid: DTXSID6041214
formula: C25H49N2O3
inchikey: YKMVRPDTLUUGNB-UHFFFAOYSA-N
norman_susdat_id: NS00004951
pubchem_cid: 73556512
smiles: CC(C)CCCCCCCCCCCCCCC1=[N+](CCO)CCN1CCC([O-])=O
inchi:
InChI=1S/C25H48N2O3/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-26(18-17-25(29)30)19-20-27(24)21-22-28/h23,28H,3-22H2,1-2H3


name: 5-{[2-(6-Amino-9H-purin-9-yl)ethyl]amino}pentan-1-ol
cas: 686301-48-4
dtxsid: DTXSID30384648
formula: C12H20N6O
inchikey: CVPTTZZCRDVGSU-UHFFFAOYSA-N
norman_susdat_id: NS00069876
pubchem_cid: 2815031
smiles: Nc1ncnc2c1ncn2CCNCCCCCO
inchi:
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)


cas: 68631-10-7
dtxsid: DTXSID90889987
formula: C36H25N7O14S2
inchikey: ZJAFXFFWUDYGQI-UHFFFAOYSA-J
norman_susdat_id: NS00061839
pubchem_cid: NA
name:
Tetrasodium 2,2'-[iminobis[(1-hydroxy-3-sulphonato-6,2-naphthalenediyl)azo-3,1-phenyleneimino]]bis(2-oxoacetate)

inchi:
InChI=1/C36H25N7O14S2.4Na/c44-31-25-9-7-21(11-17(25)13-27(58(52,53)54)29(31)42-40-23-5-1-3-19(15-23)38-33(46)35(48)49)37-22-8-10-26-18(12-22)14-28(59(55,56)57)30(32(26)45)43-41-24-6-2-4-20(16-24)39-34(47)36(50)51;;;;/h1-16,37,44-45H,(H,38,46)(H,39,47)(H,48,49)(H,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C(=O)NC=1C=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=CC(=C6)NC(=O)C(=O)[O-])C5O)S(=O)(=O)[O-])C1


name: Disodium 6-amino-5-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 68631-11-8
dtxsid: DTXSID5071709
formula: C17H14ClN3O7S2
inchikey: MICMRWLWPBHDOA-UHFFFAOYSA-L
norman_susdat_id: NS00061840
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC(Cl)=C(C=C3S(=O)(=O)[O-])C)=C1
inchi:
InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-15(30(26,27)28)13(7-11(8)18)20-21-17-12(19)3-2-9-5-10(29(23,24)25)6-14(22)16(9)17;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


cas: 68631-12-9
formula: C47H36N10O13S3
inchikey: IEDXVLKEGIMVAQ-UHFFFAOYSA-J
norman_susdat_id: NS00061894
pubchem_cid: NA
name:
Tetrasodium 5-[[4'-[[2,6-diamino-4-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C47H36N10O13S3.4Na/c1-23-15-25(7-10-36(23)52-50-28-9-13-40(58)33(19-28)47(60)61)26-8-11-37(24(2)16-26)53-56-44-34(48)20-29(21-35(44)49)51-55-39-22-32-27(17-42(39)72(65,66)67)18-43(73(68,69)70)45(46(32)59)57-54-38-12-14-41(71(62,63)64)31-6-4-3-5-30(31)38;;;;/h3-22,58-59H,48-49H2,1-2H3,(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC=4C(N)=CC(N=NC=5C=C6C(=CC5S(=O)(=O)[O-])C=C(C(N=NC7=CC=C(C=8C=CC=CC78)S(=O)(=O)[O-])=C6O)S(=O)(=O)[O-])=CC4N)C(=C3)C)=CC=C1O


name: Otenabant
cas: 686347-12-6
dtxsid: DTXSID20988316
formula: C25H25Cl2N7O
inchikey: UNAZAADNBYXMIV-UHFFFAOYSA-N
norman_susdat_id: NS00069643
pubchem_cid: 10052040
smiles: CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
inchi:
InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)


name: Disodium 4-aminonaphthalene-2,6-disulphonate
cas: 68636-00-0
formula: C10H9NO6S2.2Na
inchikey: SUDBBOWLAJFXGH-UHFFFAOYSA-L
norman_susdat_id: NS00091008
smiles: [Na+].[Na+].Nc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Eicosanol, phosphate
cas: 68647-41-6
formula: C20H43O4P
inchikey: XGIDNLGWAKKYQJ-UHFFFAOYSA-L
norman_susdat_id: NS00062185
pubchem_cid: 111502
smiles: O=P([O-])([O-])OCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H43O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23/h2-20H2,1H3,(H2,21,22,23)/p-2


name: SODIUM LAUROAM- PHOACETATE
cas: 68647-44-9
chemspiderid: 76420
formula: C18H35N2O3
inchikey: SIUQYBAOZRAJQY-UHFFFAOYSA-O
norman_susdat_id: NS00014063
pubchem_cid: 84710
smiles: [OH-].[Na+].CCCCCCCCCCCC1=[N+](CCN1CCO)CC([O-])=O
inchi:
InChI=1S/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;/p-1


name: SODIUM MYRISTOAM- PHOACETATE
cas: 68647-45-0
chemspiderid: 21166072
formula: C20H40N2O3
inchikey: KDHCLHULPPOIFW-UHFFFAOYSA-N
norman_susdat_id: NS00014077
pubchem_cid: NA
smiles: [OH-].[Na+].CCCCCCCCCCCCC[C+]1N(CCO)CCN1CC([O-])=O
inchi:
InChI=1S/C20H38N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-21(16-17-23)14-15-22(19)18-20(24)25;;/h23H,2-18H2,1H3;;1H2/q;+1;/p-1


name: Phosphorodithioic acid, O,O-dioctyl ester, branched
cas: 68649-43-4
dtxsid: DTXSID5028790
formula: C16H35O2PS2
inchikey: IYMCDJQWQXVRJH-UHFFFAOYSA-N
norman_susdat_id: NS00061930
pubchem_cid: NA
smiles: S=P(S)(OCCC(C)CC(C)C)OCCC(C)CC(C)C
inchi:
InChI=1/C16H35O2PS2/c1-13(2)11-15(5)7-9-17-19(20,21)18-10-8-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3,(H,20,21)


name: 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-undecanoate
cas: 6865-15-2
chemspiderid: 99826
dtxsid: DTXSID10218735
formula: C32H48O6
inchikey: KQNBYNLOXYNXMU-KZOQROIZSA-N
norman_susdat_id: NS00036672
pubchem_cid: 111241
smiles: CCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
inchi:
InChI=1S/C32H48O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h19,24-25,29,37H,4-18,20-21H2,1-3H3/t24-,25-,29+,30-,31-,32-/m0/s1


name: Calcium diricinoleate
cas: 6865-33-4
formula: C18H34O3.1/2Ca
inchikey: PIBVKAIHEACFIN-GNNYBVKZSA-L
norman_susdat_id: NS00081333
smiles: [Ca+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2


name: Barium distearate
cas: 6865-35-6
formula: C18H36O2.1/2Ba
inchikey: AGXUVMPSUKZYDT-UHFFFAOYSA-L
norman_susdat_id: NS00081634
smiles: [Ba+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Oleic acid, compound with isopropylamine (1:1)
cas: 68650-93-1
formula: C18H34O2.C3H9N
inchikey: LOTPPNZMKIOSBW-KVVVOXFISA-N
norman_susdat_id: NS00091700
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(C)N
inchi:
InChI=1/C18H34O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(2)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,4H2,1-2H3


name: 2,2'-thiobis(6-chloro-4-ethylphenol)
cas: 68658-40-2
dtxsid: DTXSID70988346
formula: C16H16Cl2O2S
inchikey: DWORIKGYRYABBW-UHFFFAOYSA-N
norman_susdat_id: NS00062259
pubchem_cid: 53470651
smiles: ClC=1C=C(C=C(SC2=CC(=CC(Cl)=C2O)CC)C1O)CC
inchi:
InChI=1/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3


name: Ethyl (Z)-a-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetate
cas: 68672-65-1
dtxsid: DTXSID60892362
formula: C34H37N3O5S
inchikey: YHCVDVUWNPSSMP-FSUXQIQLSA-N
norman_susdat_id: NS00061954
pubchem_cid: 12822365
smiles: O=C(OCC)C(=NOC(C(=O)OC(C)(C)C)(C)C)C=1N=C(SC1)NC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C34H37N3O5S/c1-7-40-29(38)28(37-42-33(5,6)30(39)41-32(2,3)4)27-23-43-31(35-27)36-34(24-17-11-8-12-18-24,25-19-13-9-14-20-25)26-21-15-10-16-22-26/h8-23H,7H2,1-6H3,(H,35,36)


name: (Z)-a-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid
cas: 68672-66-2
dtxsid: DTXSID40988358
formula: C32H33N3O5S
inchikey: RACSQPAUTPPMLG-JYUHDHNASA-N
norman_susdat_id: NS00062455
pubchem_cid: 11039088
smiles: O=C(O)C(=NOC(C(=O)OC(C)(C)C)(C)C)C=1N=C(SC1)NC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)


name: Lorapride
cas: 68677-06-5
formula: C14H22ClN3O3S
inchikey: YSWVLPFCGJOQQA-UHFFFAOYSA-N
norman_susdat_id: NS00063512
pubchem_cid: 68881
smiles: O=S(=O)(NCC1N(CC)CCC1)C=2C=C(Cl)C(N)=CC2OC
inchi:
InChI=1/C14H22ClN3O3S/c1-3-18-6-4-5-10(18)9-17-22(19,20)14-7-11(15)12(16)8-13(14)21-2/h7-8,10,17H,3-6,9,16H2,1-2H3


name: 3,6-bis(1-phenylethyl)-o-xylene
cas: 68678-76-2
dtxsid: DTXSID90988363
formula: C24H26
inchikey: KCPQNKJBLIGNBN-UHFFFAOYSA-N
norman_susdat_id: NS00062456
pubchem_cid: 3017875
smiles: C=1C=CC(=CC1)C(C2=CC=C(C(=C2C)C)C(C=3C=CC=CC3)C)C
inchi:
InChI=1/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3


name: Hydrazine, 1,2-bis(2,4,6-trinitrophenyl)-
cas: 68683-32-9
chemspiderid: 3070198
dtxsid: DTXSID9071713
formula: C12H6N8O12
inchikey: MBDNFKYTGJTTQI-UHFFFAOYSA-N
norman_susdat_id: NS00036674
pubchem_cid: 3844776
inchi:
InChI=1S/C12H6N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4,13-14H

smiles:
[O-][N+](=O)c1cc(c(NNc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]


cas: 68683-34-1
dtxsid: DTXSID10889989
formula: C37H46N6O10S2
inchikey: LTDAEPVPPSNLBE-GZEZKBSUSA-L
norman_susdat_id: NS00062199
pubchem_cid: NA
name:
Disodium 2,2'-[(1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-diyl)bis[(1-oxopropane-3,1-diyl)imino]]bis[ethane-1-sulphonate]

inchi:
InChI=1/C37H46N6O10S2.2Na/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30;;/h7-8,17-18,33,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N=C(C=C2NC(C(=C2C)CCC(=O)NCCS(=O)(=O)[O-])CC=3NC(C=C4NC(=O)C(C=C)=C4C)=C(C3CCC(=O)NCCS(=O)(=O)[O-])C)C(C=C)=C1C


name: 8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetrisulphonic acid
cas: 68683-42-1
formula: C34H22Cl2N4O11S3
inchikey: SOZVXMKLTKHFPV-UHFFFAOYSA-N
norman_susdat_id: NS00091557
inchi:
InChI=1/C34H22Cl2N4O11S3/c1-3-39-19-8-6-5-7-14(19)15-9-17-23(11-20(15)39)50-31-28(36)30-32(27(35)29(31)37-17)51-24-12-21-16(10-18(24)38-30)26-22(40(21)4-2)13-25(52(41,42)43)33(53(44,45)46)34(26)54(47,48)49/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)

smiles:
CCn1c2ccccc2c3cc4N=C5C(=C6Oc7cc8c(cc7N=C6C(=C5Oc4cc13)Cl)c9c(c(c(cc9n8CC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl


name: Allyl [[[[2,2-bis[(allyloxy)methyl]butoxy]carbonyl]amino]methylphenyl]carbamate
cas: 68683-46-5
dtxsid: DTXSID60988375
formula: C24H34N2O6
inchikey: YNKNLQLRKHSMFZ-UHFFFAOYSA-N
norman_susdat_id: NS00063245
pubchem_cid: 71439838
smiles: O=C(OCC=C)NC=1C=CC=CC1CNC(=O)OCC(COCC=C)(COCC=C)CC
inchi:
InChI=1/C24H34N2O6/c1-5-13-29-17-24(8-4,18-30-14-6-2)19-32-22(27)25-16-20-11-9-10-12-21(20)26-23(28)31-15-7-3/h5-7,9-12H,1-3,8,13-19H2,4H3,(H,25,27)(H,26,28)


name: decarbamoylneosaxitoxin
cas: 68683-58-9
chemspiderid: 95689
formula: C20H43O4P1
inchikey: IAONKHJEAQWGBJ-UHFFFAOYSA-N
norman_susdat_id: NS00002464
pubchem_cid: 106244
smiles: CC(C)CCCCCCCOP(O)(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C20H43O4P/c1-19(2)15-11-7-5-9-13-17-23-25(21,22)24-18-14-10-6-8-12-16-20(3)4/h19-20H,5-18H2,1-4H3,(H,21,22)


name: Phenol, 4-(1,2-diphenyl-1-buten-1-yl)-
cas: 68684-63-9
chemspiderid: 2298471
formula: C22H20O1
inchikey: YJVFSITVRZYTHO-QURGRASLSA-N
norman_susdat_id: NS00006628
pubchem_cid: 3033896
smiles: CCC(=C(c1ccccc1)c1ccc(O)cc1)c1ccccc1
inchi:
InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21+


name: Lokundjoside
cas: 6869-51-8
chemspiderid: 3032517
formula: C29H44O10
inchikey: WRORFDCUNLGVJF-KYPKZMEESA-N
norman_susdat_id: NS00093790
pubchem_cid: 2297474
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)C5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)C)O)O)O


name: Modafinil
cas: 68693-11-8
chebiid: CHEBI:77585
chemspiderid: 4088
dtxsid: DTXSID0023329
formula: C15H15N1O2S1
inchikey: YFGHCGITMMYXAQ-UHFFFAOYSA-N
norman_susdat_id: NS00003986
pubchem_cid: 4236
smiles: NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)


name: Triflumizole
cas: 68694-11-1
chebiid: CHEBI:81784
chemspiderid: 82801
dtxsid: DTXSID2032500
formula: C15H15Cl1F3N3O1
inchikey: HSMVPDGQOIQYSR-KGENOOAVSA-N
norman_susdat_id: NS00006114
pubchem_cid: 91699
smiles: CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1
inchi:
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+


name: Potassium 3,5-bis(tert-butyl)-4-hydroxybenzoate
cas: 68698-64-6
formula: C15H22O3.K
inchikey: QCUHVKUWJDHDHF-UHFFFAOYSA-M
norman_susdat_id: NS00090930
smiles: [K+].CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)[O-]
inchi:
InChI=1/C15H22O3.K/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);/q;+1/p-1


name: 2-heptadec-8-enyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazole phosphate
cas: 68698-85-1
formula: C22H42N2O.xH3O4P
inchikey: VRPYWVXUPSOIOT-UHFFFAOYSA-N
norman_susdat_id: NS00090764
smiles: OCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.OP(O)(=O)O
inchi:
InChI=1/C22H42N2O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-5(2,3)4/h9-10,25H,2-8,11-21H2,1H3;(H3,1,2,3,4)


name: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-chlorophenyl)-3-oxobutyramide]
cas: 68703-78-6
dtxsid: DTXSID80988397
formula: C34H30Cl2N6O6
inchikey: JDEPQIDGFSCDMA-UHFFFAOYSA-N
norman_susdat_id: NS00061656
pubchem_cid: 44149996
smiles: O=C(NC=1C=CC=CC1Cl)C(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4Cl)C(=O)C)C(OC)=C3)C(=O)C
inchi:
InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-25-11-7-5-9-23(25)35)41-39-27-15-13-21(17-29(27)47-3)22-14-16-28(30(18-22)48-4)40-42-32(20(2)44)34(46)38-26-12-8-6-10-24(26)36/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)


name: Echitamine
cas: 6871-44-9
formula: C22H29N2O4
inchikey: AFJPGVUCVDCFPM-STAUQARGSA-N
norman_susdat_id: NS00045718
pubchem_cid: 431721
smiles: O=C(OC)C1(CO)C2C(=CC)C[N+]3(C)CCC41C=5C=CC=CC5NC43C(O)C2
inchi:
InChI=1/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1


cas: 6871-80-3
formula: C58H27N3O10
inchikey: AJDLDTCLIYZCBZ-UHFFFAOYSA-N
norman_susdat_id: NS00045258
pubchem_cid: NA
name:
N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis[9,10-dihydro-9,10-dioxoanthracene-2-carboxamide]

inchi:
InChI=1/C58H27N3O10/c62-49-27-9-1-3-11-29(27)51(64)39-21-25(17-19-35(39)49)57(70)59-41-23-37-38-24-42(60-58(71)26-18-20-36-40(22-26)52(65)30-12-4-2-10-28(30)50(36)63)44-46(56(69)34-16-8-6-14-32(34)54(44)67)48(38)61-47(37)45-43(41)53(66)31-13-5-7-15-33(31)55(45)68/h1-24,61H,(H,59,70)(H,60,71)

smiles:
O=C(NC=1C=C2C=3C=C(NC(=O)C4=CC=C5C(=O)C=6C=CC=CC6C(=O)C5=C4)C=7C(=O)C=8C=CC=CC8C(=O)C7C3NC2=C9C(=O)C=%10C=CC=CC%10C(=O)C19)C%11=CC=C%12C(=O)C=%13C=CC=CC%13C(=O)C%12=C%11


name: Carbonic acid, ethyl 4-[[2-nitro-4-[(1-oxooctadecyl)amino]phenyl]amino]phenyl ester
cas: 68715-91-3
chemspiderid: 4588722
dtxsid: DTXSID8071722
formula: C33H49N3O6
inchikey: ZKFBNPLIKFKRNO-UHFFFAOYSA-N
norman_susdat_id: NS00036678
pubchem_cid: 5485683
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1cc(c(Nc2ccc(OC(=O)OCC)cc2)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C33H49N3O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(37)35-28-22-25-30(31(26-28)36(39)40)34-27-20-23-29(24-21-27)42-33(38)41-4-2/h20-26,34H,3-19H2,1-2H3,(H,35,37)


name: (5alpha)-7,8-Didehydro-4,5-epoxy-3-hydroxymorphinan-6-one
cas: 6872-48-6
chemspiderid: 21172624
dtxsid: DTXSID00218845
formula: C16H15N1O3
inchikey: GXIMGPIITFBWRH-UIHHKEIPSA-N
norman_susdat_id: NS00036680
pubchem_cid: 56842092
smiles: Oc1c2OC3C(=O)C=CC4C5Cc(cc1)c2C34CCN5
inchi:
InChI=1S/C16H15NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,15,17-18H,5-7H2/t9-,10+,15-,16-/m0/s1


name: Tributyl[(ethylsulphonyl)oxy]stannane
cas: 68725-15-5
dtxsid: DTXSID10218851
formula: C14H32O3SSn
inchikey: MNYWFHSJKOGEFX-UHFFFAOYSA-M
norman_susdat_id: NS00061669
pubchem_cid: NA
smiles: O=S(=O)(O[Sn](CCCC)(CCCC)CCCC)CC
inchi:
InChI=1/3C4H9.C2H6O3S.Sn/c3*1-3-4-2;1-2-6(3,4)5;/h3*1,3-4H2,2H3;2H2,1H3,(H,3,4,5);/q;;;;+1/p-1/rC14H32O3SSn/c1-5-9-12-19(13-10-6-2,14-11-7-3)17-18(15,16)8-4/h5-14H2,1-4H3


name: 1,3,4,6-tetrakis-O-(1-oxotetradecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetramyristate
cas: 68735-84-2
formula: C68H126O15
inchikey: BRCLYBQNUJXWIV-SHLJRFQESA-J
norman_susdat_id: NS00061995
pubchem_cid: NA
inchi:
InChI=1/C68H125O15.4C14H28O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(70)77-54-57-64(80-60(72)51-47-43-39-35-31-27-23-19-15-11-7-3)66(81-61(73)52-48-44-40-36-32-28-24-20-16-12-8-4)68(82-57,83-65-63(75)62(74)56(53-69)79-67(65)76)55-78-59(71)50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h56-57,62-67,69,74-75H,5-55H2,1-4H3;4*2-13H2,1H3,(H,15,16)/q-1;;;;/p-4

smiles:
O=C([O-])CCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCC.O=C(OCC1OC(OC2C([O-])OC(CO)C(O)C2O)(COC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC


cas: 68735-91-1
dtxsid: DTXSID10882657
norman_susdat_id: NS00109254
name:
1,4-Benzenedicarboxylic acid, polymer with N,N-bis(2-hydroxyethyl)-4-[(nonadecafluorodecyl)oxy]benzenesulfonamide didehydro deriv., 1,2-ethanediol, .alpha.-hydro-.omega.-hydroxypoly(oxy-1,2-ethanediyl) and 1,1'-methylenebis[4-isocyanatobenzene]


name: Methyl 2-[[[2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl]methylene]amino]benzoate
cas: 68738-99-8
chemspiderid: 2299264
dtxsid: DTXSID5052418
formula: C17H21N1O2
inchikey: KDSJAOIHFZMUNK-SDNWHVSQSA-N
norman_susdat_id: NS00012882
pubchem_cid: 3034893
smiles: COC(=O)c1ccccc1NC=C2/CCC(=CC2C)C
inchi:
InChI=1S/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13,18H,8-9H2,1-3H3/b14-11+


name: Disodium (acetoxyoctadecanediyl) bis(sulphate)
cas: 68739-05-9
formula: C20H40O10S2
inchikey: XXCUWAPRBWNODU-UHFFFAOYSA-L
norman_susdat_id: NS00061996
pubchem_cid: NA
smiles: [Na+].[Na+].O=C(OC(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C20H40O10S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(28-19(2)21,29-31(22,23)24)30-32(25,26)27;;/h3-18H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: O-benzyl-L-methionine toluene-p-sulphonate
cas: 68739-90-2
dtxsid: DTXSID80988433
formula: C12H17NO2S
inchikey: HVNFDGNZVKCCTM-MERQFXBCSA-N
norman_susdat_id: NS00061670
pubchem_cid: 56844002
smiles: O=C(OCC=1C=CC=CC1)C(N)CCSC.O=S(=O)(O)C1=CC=C(C=C1)C
inchi:
InChI=1/C12H17NO2S.C7H8O3S/c1-16-8-7-11(13)12(14)15-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9,13H2,1H3;2-5H,1H3,(H,8,9,10)


name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methyl-2-nitroaniline
cas: 68740-15-8
dtxsid: DTXSID60988436
formula: C25H29N4O2
inchikey: WWXFIBXWRNTLTE-UHFFFAOYSA-N
norman_susdat_id: NS00061671
pubchem_cid: 3017877
smiles: O=[N+]([O-])C1=CC(=CC=C1NC)CN2CCN(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H28N4O2/c1-26-23-13-12-20(18-24(23)29(30)31)19-27-14-16-28(17-15-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25-26H,14-17,19H2,1H3


name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-nitroaniline
cas: 68740-16-9
dtxsid: DTXSID20988437
formula: C26H31N4O2
inchikey: JRGOUUSIGNGBAP-UHFFFAOYSA-N
norman_susdat_id: NS00062222
pubchem_cid: 3017878
smiles: O=[N+]([O-])C1=CC(=CC=C1NCC)CN2CCN(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H30N4O2/c1-2-27-24-14-13-21(19-25(24)30(31)32)20-28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26-27H,2,15-18,20H2,1H3


name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-methylbenzene-1,2-diamine
cas: 68740-30-7
dtxsid: DTXSID80988438
formula: C25H30N4
inchikey: ZBKAXLRWIUXFRC-UHFFFAOYSA-N
norman_susdat_id: NS00063248
pubchem_cid: 3017879
smiles: NC1=CC(=CC=C1NC)CN2CCN(CC2)C(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H30N4/c1-27-24-13-12-20(18-23(24)26)19-28-14-16-29(17-15-28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25,27H,14-17,19,26H2,1H3


name: (R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolinium bromide
cas: 68742-86-9
formula: C21H25NO4.BrH
inchikey: DFFLCVRJWUOGPN-XFULWGLBSA-N
norman_susdat_id: NS00091025
smiles: [Br-].COc1cc2C[C@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
inchi:
InChI=1/C21H25NO4.BrH/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H


name: 5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzothiazepine
cas: 68745-07-3
dtxsid: DTXSID60988451
formula: C17H18N4S
inchikey: VJNQLNPFELPXCU-UHFFFAOYSA-N
norman_susdat_id: NS00063249
pubchem_cid: 10335576
smiles: N=1C=CC=C2C1SC=3C=CC=CC3N=C2N4CCN(C)CC4
inchi:
InChI=1/C17H18N4S/c1-20-9-11-21(12-10-20)16-13-5-4-8-18-17(13)22-15-7-3-2-6-14(15)19-16/h2-8H,9-12H2,1H3


name: Tholloside
cas: 6875-30-5
chemspiderid: 23312
formula: C29H42O11
inchikey: AZOXLPPOBHVORY-MEYXTMGPSA-N
norman_susdat_id: NS00093824
pubchem_cid: 21799
smiles:
CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4[C@@H](C[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O


name: Zirconium(2+) oleate
cas: 68757-56-2
formula: C18H34O2.1/2Zr
inchikey: GUUOSEJLEPUSCW-CVBJKYQLSA-L
norman_susdat_id: NS00091588
smiles: [Zr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Benzyl[2-(2-cyanoethoxy)ethyl]diethylammonium chloride
cas: 68757-57-3
dtxsid: DTXSID40887493
formula: C16H25N2O
inchikey: HVZZFNDRBACREA-UHFFFAOYSA-M
norman_susdat_id: NS00062047
pubchem_cid: 111553
smiles: [Cl-].N#CCCOCC[N+](CC=1C=CC=CC1)(CC)CC
inchi:
InChI=1/C16H25N2O.ClH/c1-3-18(4-2,12-14-19-13-8-11-17)15-16-9-6-5-7-10-16;/h5-7,9-10H,3-4,8,12-15H2,1-2H3;1H/q+1;/p-1


name: 2-(N-(1,1-dihydroperfluoropentadecylsulfonyl)-N-methylamino)ethyl acrylate
cas: 68758-55-4
chemspiderid: 151104
dtxsid: DTXSID20881277
formula: C21H12F29N1O4S1
inchikey: VDZHRFMUCNLGTO-UHFFFAOYSA-N
norman_susdat_id: NS00011064
pubchem_cid: 173047
inchi:
InChI=1S/C21H12F29NO4S/c1-3-7(52)55-5-4-51(2)56(53,54)6-8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)50/h3H,1,4-6H2,2H3

smiles:
C(OC(C=C)=O)CN([S](=O)(=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C


name: 2-[Methyl[(perfluorohexadecyl)methylsulfonyl]amino]ethyl 2-propenoate
cas: 68758-56-5
chemspiderid: 151105
dtxsid: DTXSID8071726
formula: C23H12F33N1O4S1
inchikey: KSRNSIIMBGIEPL-UHFFFAOYSA-N
norman_susdat_id: NS00011066
pubchem_cid: 173048
inchi:
InChI=1S/C23H12F33NO4S/c1-3-7(58)61-5-4-57(2)62(59,60)6-8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)20(48,49)21(50,51)22(52,53)23(54,55)56/h3H,1,4-6H2,2H3

smiles:
C(OC(C=C)=O)CN([S](=O)(=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C


name: (Perfluorododecyl)ethylsulfonyl chloride
cas: 68758-57-6
chemspiderid: 100088
dtxsid: DTXSID3071727
formula: C14H4Cl1F25O2S1
inchikey: OWNXTVBJQHTUHT-UHFFFAOYSA-N
norman_susdat_id: NS00011061
pubchem_cid: 111556
inchi:
InChI=1S/C14H4ClF25O2S/c15-43(41,42)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)40/h1-2H2

smiles:
C([S](Cl)(=O)=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 68758-65-6
dtxsid: DTXSID3071729
formula: C27H25N2S
inchikey: CWULMQVIKZARHS-UHFFFAOYSA-M
norman_susdat_id: NS00061699
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C2=CC=C3C=CC=CC3=C2[N+](=C1C=CC=C4C=CN(C=5C=CC=CC45)CC)CC
name:
1-ethyl-2-[3-(1-ethyl-1H-quinolin-4-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate

inchi:
InChI=1/C27H25N2S.C7H8O3S/c1-3-28-19-18-21(22-12-7-8-14-24(22)28)11-9-15-26-29(4-2)27-23-13-6-5-10-20(23)16-17-25(27)30-26;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Methanediamine, N,N'-bis[2-[[[(2-aminophenyl)thio]methyl]thio]phenyl]-
cas: 68758-72-5
chemspiderid: 100092
dtxsid: DTXSID7071733
formula: C27H28N4S4
inchikey: OWXIREOFSQQJKK-UHFFFAOYSA-N
norman_susdat_id: NS00036685
pubchem_cid: 111566
smiles: Nc1ccccc1SCSc1c(NCNc2c(SCSc3c(N)cccc3)cccc2)cccc1
inchi:
InChI=1S/C27H28N4S4/c28-20-9-1-5-13-24(20)32-18-34-26-15-7-3-11-22(26)30-17-31-23-12-4-8-16-27(23)35-19-33-25-14-6-2-10-21(25)29/h1-16,30-31H,17-19,28-29H2


name: Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-2-thioxothiazolidine-3-acetate
cas: 68758-84-9
dtxsid: DTXSID7071735
formula: C14H14N2O2S3
inchikey: BKUNFOIECQMVFV-UHFFFAOYSA-N
norman_susdat_id: NS00063280
pubchem_cid: 111576
smiles: O=C([O-])CN1C(=S)SC(=C2SC=3C=CC=CC3N2CC)C1.CC[NH+](CC)CC
inchi:
InChI=1/C14H14N2O2S3.C6H15N/c1-2-16-9-5-3-4-6-10(9)20-13(16)11-7-15(8-12(17)18)14(19)21-11;1-4-7(5-2)6-3/h3-6H,2,7-8H2,1H3,(H,17,18);4-6H2,1-3H3


name: Benzoic acid, 4-(1,1-dimethylethyl)-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazide
cas: 68758-85-0
chemspiderid: 4586867
dtxsid: DTXSID2071736
formula: C22H22N2O2
inchikey: QSEQSUVWYBZMLJ-UHFFFAOYSA-N
norman_susdat_id: NS00036686
pubchem_cid: NA
smiles: CC(C)(C)c1ccc(cc1)C(=O)NN/C=C/1C(=O)C=Cc2ccccc12
inchi:
InChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,23H,1-3H3,(H,24,26)/b19-14-


cas: 68758-87-2
dtxsid: DTXSID80887497
formula: C31H30N4O5S2
inchikey: WGWPYVUPZBSOPX-UHFFFAOYSA-N
norman_susdat_id: NS00062247
pubchem_cid: 71439850
smiles: O=C(O)CN1C(=S)N(C(=O)C1=C2SC(=CC=C3C=CC=4C=C(OCC)C=CC4N3CC)C(=O)N2CC)C=5C=CC=CC5
name:
5-[5-[(6-ethoxy-1-ethyl-1H-quinolin-2-ylidene)ethylidene]-3-ethyl-4-oxothiazolidin-2-ylidene]-4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid

inchi:
InChI=1/C31H30N4O5S2/c1-4-32-21(13-12-20-18-23(40-6-3)15-16-24(20)32)14-17-25-28(38)33(5-2)30(42-25)27-29(39)35(22-10-8-7-9-11-22)31(41)34(27)19-26(36)37/h7-18H,4-6,19H2,1-3H3,(H,36,37)


name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(2-pentene-1,5-diylidene)bis[1,3-dimethyl-
cas: 68758-89-4
chemspiderid: 4942203
dtxsid: DTXSID7071739
formula: C17H18N4O6
inchikey: VUKLGXZGBALJRY-UHFFFAOYSA-N
norman_susdat_id: NS00036688
pubchem_cid: NA
smiles: CN1C(=O)N(C)C(=O)C(=CC/C=C/C=C2C(=O)N(C)C(=O)N(C)C2=O)C1=O
inchi:
InChI=1S/C17H18N4O6/c1-18-12(22)10(13(23)19(2)16(18)26)8-6-5-7-9-11-14(24)20(3)17(27)21(4)15(11)25/h5-6,8-9H,7H2,1-4H3/b6-5+


name: (carboxylatomethyl)dimethyl(2-stearoyloxyethyl)ammonium
cas: 68758-97-4
dtxsid: DTXSID50988460
formula: C24H48NO4
inchikey: SAIRUYBSQSGGMI-UHFFFAOYSA-N
norman_susdat_id: NS00063281
pubchem_cid: 3017882
smiles: O=C([O-])C[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-21-20-25(2,3)22-23(26)27/h4-22H2,1-3H3


name: MDPV
cas: 687603-66-3
chemspiderid: 16788110
formula: C16H21N1O3
inchikey: SYHGEUNFJIGTRX-UHFFFAOYSA-N
norman_susdat_id: NS00008153
pubchem_cid: 20111961
smiles: CCCC(N1CCCC1)C(=O)c1ccc2OCOc2c1
inchi:
InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3


name: Loxoprofen
cas: 68767-14-6
chebiid: CHEBI:76172
chemspiderid: 3828
dtxsid: DTXSID1045164
formula: C15H18O3
inchikey: YMBXTVYHTMGZDW-UHFFFAOYSA-N
norman_susdat_id: NS00002488
pubchem_cid: 3965
smiles: CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1
inchi:
InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)


cas: 6877-39-0
dtxsid: DTXSID90988469
formula: C28H40O8
inchikey: QEFALKLEMZRSQY-GSKCQXMJSA-N
norman_susdat_id: NS00045209
pubchem_cid: 110934
smiles: O=C1CC2C(OC3C(=O)C4C(CC=C5CC(OC6OC(C)C(O)C(OC)C6)C(O)CC54C)C1C32C)C
name:
3-[(2,6-dideoxy-3ß-O-methyl-lyxo-hexopyranosyl)oxy]-12a,20-epoxy-2ß-hydroxy-14ß,17a-pregn-5-ene-11,15-dione

inchi:
InChI=1/C28H40O8/c1-12-16-9-17(29)22-15-7-6-14-8-19(36-21-10-20(33-5)24(31)13(2)34-21)18(30)11-27(14,3)23(15)25(32)26(35-12)28(16,22)4/h6,12-13,15-16,18-24,26,30-31H,7-11H2,1-5H3


name: (25R)-6-methylspirost-5-en-3ß-ol acetate
cas: 6877-73-2
dtxsid: DTXSID00988470
formula: C30H46O4
inchikey: OGEFDNIZNJRWMH-AUBPAKAUSA-N
norman_susdat_id: NS00045210
pubchem_cid: 111242
smiles: O=C(OC1CC2=C(C)CC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1)C
inchi:
InChI=1/C30H46O4/c1-17-7-12-30(32-16-17)19(3)27-26(34-30)15-25-22-13-18(2)24-14-21(33-20(4)31)8-10-28(24,5)23(22)9-11-29(25,27)6/h17,19,21-23,25-27H,7-16H2,1-6H3


cas: 68784-14-5
chemspiderid: 18500537
formula: C15H26O11
inchikey: DUMOJBFXLNPOEI-UHFFFAOYSA-N
norman_susdat_id: NS00005925
pubchem_cid: NA
smiles: OCC1OC(COCC=C)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
name:
Constitutional isomers of penta-O-allyl-Î²-D-fructofuranosylÎ±-D-glucopyranoside; Constitutional isomers of hexa-O-allyl-Î²-D-fructofuranosylÎ±-D-glucopyranoside; Constitutional isomers of hepta-O-allyl-Î²-D-fructofuransoylÎ±-D-glucopyranoside

inchi:
InChI=1S/C15H26O11/c1-2-3-23-6-15(13(22)10(19)8(5-17)25-15)26-14-12(21)11(20)9(18)7(4-16)24-14/h2,7-14,16-22H,1,3-6H2


name: Phosphorodithioic acid, mixed O,O-bis(sec-Bu and 1,3-dimethylbutyl) esters, zinc salts
cas: 68784-31-6
dtxsid: DTXSID1028813
formula: C20H44O4P2S4Zn
inchikey: PWMSQVOBEKFBRF-UHFFFAOYSA-L
norman_susdat_id: NS00076013
smiles: [Zn++].CCC(C)OP([S-])(=S)OC(C)CC(C)C.CCC(C)OP([S-])(=S)OC(C)CC(C)C
inchi:
InChI=1/2C10H23O2PS2.Zn/c2*1-6-9(4)11-13(14,15)12-10(5)7-8(2)3;/h2*8-10H,6-7H2,1-5H3,(H,14,15);/q;;+2/p-2


name: Phosphorodithioic acid, mixed O,O-bis(hexyl and iso-Bu) esters, zinc salts
cas: 68784-34-9
dtxsid: DTXSID9029487
formula: C10H23O2PS2
inchikey: RHKSOURXPQKBTH-UHFFFAOYSA-L
norman_susdat_id: NS00062584
pubchem_cid: 22833406
smiles: [Zn+2].S=P([S-])(OCCCCCC)OCC(C)C.S=P([S-])(OCCCCCC)OCC(C)C
inchi:
InChI=1/2C10H23O2PS2.Zn/c2*1-4-5-6-7-8-11-13(14,15)12-9-10(2)3;/h2*10H,4-9H2,1-3H3,(H,14,15);/q;;+2/p-2


cas: 68784-73-6
dtxsid: DTXSID20882789
norman_susdat_id: NS00109618
name:
2-Propenoic acid, 2-methyl-, 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl esters, reaction products with polyethylene glycol bis(mercaptoacetate)


name: Ethyl(2-hydroxyethyl)[2-(octadecenoylamino)ethyl]ammonium ethyl sulphate
cas: 68784-88-3
formula: C24H48N2O2
inchikey: ALGDOESZXSUJBN-UHFFFAOYSA-N
norman_susdat_id: NS00062602
pubchem_cid: 71439854
smiles: O=C(C=CCCCCCCCCCCCCCCC)NCC[NH+](CC)CCO.O=S(=O)([O-])OCC
inchi:
InChI=1/C24H48N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h18-19,27H,3-17,20-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)


name: 3,5-dimethyl-1-(2-methylpropyl)hexyl palmitate
cas: 68784-90-7
dtxsid: DTXSID40887498
formula: C28H56O2
inchikey: CQCZSONTBHAKRK-UHFFFAOYSA-N
norman_susdat_id: NS00062417
pubchem_cid: 111361
smiles: O=C(OC(CC(C)C)CC(C)CC(C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C28H56O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27(22-25(4)5)23-26(6)21-24(2)3/h24-27H,7-23H2,1-6H3


name: 3,5-dimethyl-1-(2-methylpropyl)hexyl stearate
cas: 68784-91-8
dtxsid: DTXSID00887499
formula: C30H60O2
inchikey: QCFGBQPPERBYMA-UHFFFAOYSA-N
norman_susdat_id: NS00063629
pubchem_cid: 111362
smiles: O=C(OC(CC(C)C)CC(C)CC(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(31)32-29(24-27(4)5)25-28(6)23-26(2)3/h26-29H,7-25H2,1-6H3


name: Anthracene, 9,10-dihydro-2-[[4-(phenylmethyl)phenyl]methyl]-
cas: 68784-92-9
chemspiderid: 95758
dtxsid: DTXSID6071740
formula: C28H24
inchikey: FPPBVQWDFFKYBB-UHFFFAOYSA-N
norman_susdat_id: NS00036691
pubchem_cid: 111588
smiles: C(c1ccccc1)c1ccc(Cc2cc3c(Cc4c(C3)cccc4)cc2)cc1
inchi:
InChI=1S/C28H24/c1-2-6-21(7-3-1)16-22-10-12-23(13-11-22)17-24-14-15-27-19-25-8-4-5-9-26(25)20-28(27)18-24/h1-15,18H,16-17,19-20H2


name: 1-(benzyl)-2-methylquinolinium chloride
cas: 68784-95-2
dtxsid: DTXSID50887500
formula: C17H16N
inchikey: BELVPZCHFHNMFQ-UHFFFAOYSA-M
norman_susdat_id: NS00062603
pubchem_cid: 111592
smiles: [Cl-].C=1C=CC(=CC1)C[N+]=2C=3C=CC=CC3C=CC2C
inchi:
InChI=1/C17H16N.ClH/c1-14-11-12-16-9-5-6-10-17(16)18(14)13-15-7-3-2-4-8-15;/h2-12H,13H2,1H3;1H/q+1;/p-1


name: 2,5-diethoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)
cas: 68785-06-8
dtxsid: DTXSID40988494
formula: C14H20N3O2
inchikey: BFEKCWLYQJPPDI-UHFFFAOYSA-J
norman_susdat_id: NS00062116
pubchem_cid: 106467
smiles: N#[N+]C=1C=C(OCC)C(=CC1OCC)N2CCCC2.N#[N+]C=1C=C(OCC)C(=CC1OCC)N2CCCC2.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C14H20N3O2.4ClH.Zn/c2*1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;;;;;/h2*9-10H,3-8H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H20N3O2.Cl4Zn/c2*1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;1-5(2,3)4/h2*9-10H,3-8H2,1-2H3;/q2*+1;-2


name: Triclabendazole
cas: 68786-66-3
chebiid: CHEBI:94759
chemspiderid: 45565
dtxsid: DTXSID7043952
formula: C14H9Cl3N2O1S1
inchikey: NQPDXQQQCQDHHW-UHFFFAOYSA-N
norman_susdat_id: NS00000576
pubchem_cid: 50248
smiles: CSc1[nH]c2cc(c(cc2n1)Oc3cccc(c3Cl)Cl)Cl
inchi:
InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)


name: 9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
cas: 68791-47-9
dtxsid: DTXSID80218904
formula: C25H33FO6
inchikey: JMNCBDUSHPYROE-ZLOBPOPUSA-N
norman_susdat_id: NS00063631
pubchem_cid: 53470661
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(OC(=O)CCC)(C(=O)CO)C4(C)CC(O)C32F)C
inchi:
InChI=1/C25H33FO6/c1-4-5-21(31)32-24(20(30)14-27)11-9-17-18-7-6-15-12-16(28)8-10-22(15,2)25(18,26)19(29)13-23(17,24)3/h8,10,12,17-19,27,29H,4-7,9,11,13-14H2,1-3H3


name: 5-methyltetrahydrofolic acid disodium salt
cas: 68792-52-9
dtxsid: DTXSID4048278
formula: C20H25N7O6
inchikey: ZNOVTXRBGFNYRX-OLZOCXBDSA-N
norman_susdat_id: NS00069059
smiles: CN1c2c(nc(N)[nH]c2=O)NC[C@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
inchi:
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13+/m1/s1


cas: 68796-41-8
formula: C23H48NO2
norman_susdat_id: NS00101810
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(methyloctadecenyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


name: Disodium 1-(1,3-dimethylbutyl) 2-sulphonatosuccinate
cas: 68797-49-9
dtxsid: DTXSID70988508
formula: C10H18O7S
inchikey: IAJZJSNXALVKIK-UHFFFAOYSA-L
norman_susdat_id: NS00062604
pubchem_cid: 111365
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)OC(C)CC(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C10H18O7S.2Na/c1-6(2)4-7(3)17-10(13)8(5-9(11)12)18(14,15)16;;/h6-8H,4-5H2,1-3H3,(H,11,12)(H,14,15,16);;/q;2*+1/p-2


name: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxodocosyl)amino]-, ethyl sulfate
cas: 68797-65-9
chemspiderid: 100119
dtxsid: DTXSID1071749
formula: C29H61N2O1
inchikey: HYOACBWUKAVJAD-UHFFFAOYSA-O
norman_susdat_id: NS00013393
pubchem_cid: 111607
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCO[S]([O-])(=O)=O
inchi:
InChI=1S/C29H60N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(3,4)6-2;1-2-6-7(3,4)5/h5-28H2,1-4H3;2H2,1H3,(H,3,4,5)


name: Aluminium trioleate
cas: 688-37-9
formula: C18H34O2.1/3Al
inchikey: IKCOOALACZVGLI-GNOQXXQHSA-K
norman_susdat_id: NS00079731
smiles: [Al+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Pyriofenone
cas: 688046-61-9
chebiid: CHEBI:83346
dtxsid: DTXSID8058162
formula: C18H20ClNO5
inchikey: NMVCBWZLCXANER-UHFFFAOYSA-N
norman_susdat_id: NS00066830
pubchem_cid: 23082663
smiles: COC1=C(OC)C(OC)=C(C(=O)C2=C(C)C(Cl)=CN=C2OC)C(C)=C1
inchi:
InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3


cas: 68805-70-9
dtxsid: DTXSID00882909
norman_susdat_id: NS00108916
name:
Acetic acid, [1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]difluoro-, potassium salt, polymer with tetrafluoroethene


name: Trisodium 2-[(1-hydroxy-3,6-disulphonato-2-naphthyl)azo]benzoate
cas: 68806-09-7
formula: C17H12N2O9S2
inchikey: XRGYWPFBDZEYSY-UHFFFAOYSA-K
norman_susdat_id: NS00062623
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H12N2O9S2.3Na/c20-16-11-6-5-10(29(23,24)25)7-9(11)8-14(30(26,27)28)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


cas: 68806-24-6
chemspiderid: 10143939
dtxsid: DTXSID30218914
formula: C27H22Cl1N9O9S3
inchikey: XFRZWXOONUINSL-DKZBWMTHSA-K
norman_susdat_id: NS00020447
pubchem_cid: NA
name:
Trisodium 2-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate

inchi:
InChI=1S/C27H22ClN9O9S3/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33)/b35-34+,37-36-

smiles:
[Na+].[Na+].[Na+].Cc1cc(N=Nc2c(ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(N)n2)c2c1cc(cc2)S(=O)(=O)[O-]


name: 1,5-Dihydroxy-4-((1-methylethyl)amino)-8-nitroanthraquinone
cas: 68808-55-9
chemspiderid: 17333440
dtxsid: DTXSID50218916
formula: C17H14N2O6
inchikey: QUGVPYUFTHJBAS-UHFFFAOYSA-N
norman_susdat_id: NS00036698
pubchem_cid: 102438175
smiles: CC(C)Nc1c2C(=O)c3c(O)ccc(c3C(=O)c2c(O)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H14N2O6/c1-7(2)18-8-3-5-10(20)14-12(8)16(22)15-11(21)6-4-9(19(24)25)13(15)17(14)23/h3-7,18,20-21H,1-2H3


name: 2,2'-(1H-Isoindole-1,3(2H)-diylidene)bis(2-cyano-N-(3,4-dichlorophenyl)acetamide)
cas: 68808-67-3
chemspiderid: 18533766
dtxsid: DTXSID10218917
formula: C26H13Cl4N5O2
inchikey: KDQWPYUIMLWRQI-QFFDILLMSA-N
norman_susdat_id: NS00036699
pubchem_cid: 53470670
smiles: Clc1c(Cl)cc(NC(=O)C(=c2[nH]c(=C(C#N)C(=O)Nc3cc(Cl)c(Cl)cc3)c3ccccc23)C#N)cc1
inchi:
InChI=1S/C26H13Cl4N5O2/c27-19-7-5-13(9-21(19)29)33-25(36)17(11-31)23-15-3-1-2-4-16(15)24(35-23)18(12-32)26(37)34-14-6-8-20(28)22(30)10-14/h1-10,35H,(H,33,36)(H,34,37)/b23-17-,24-18-


cas: 68808-69-5
chemspiderid: 2299275
dtxsid: DTXSID5071755
formula: C26H14Cl3N5O2
inchikey: MTPSHJFXEBIBJC-UHFFFAOYSA-N
norman_susdat_id: NS00020872
pubchem_cid: 111613
smiles: Clc1ccc(NC(=O)/C(=c2/[nH]/c(=C(/C#N)C(=O)Nc3cc(Cl)c(Cl)cc3)/c3c2cccc3)/C#N)cc1
name:
Acetamide, 2-[3-[2-[(4-chlorophenyl)amino]-1-cyano-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene]-2-cyano-N-(3,4-dichlorophenyl)-

inchi:
InChI=1S/C26H14Cl3N5O2/c27-14-5-7-15(8-6-14)32-25(35)19(12-30)23-17-3-1-2-4-18(17)24(34-23)20(13-31)26(36)33-16-9-10-21(28)22(29)11-16/h1-11,34H,(H,32,35)(H,33,36)/b23-19+,24-20-


name: Acetamide, 2,2'-(1H-isoindole-1,3(2H)-diylidene)bis[N-(4-chlorophenyl)-2-cyano-
cas: 68808-70-8
chemspiderid: 2299276
dtxsid: DTXSID0071756
formula: C26H15Cl2N5O2
inchikey: OOQHVIOIXRDFRK-UHFFFAOYSA-N
norman_susdat_id: NS00036700
pubchem_cid: 111614
smiles: Clc1ccc(NC(=O)/C(=c/2[nH]/c(=C(C#N)/C(=O)Nc3ccc(Cl)cc3)/c3c2cccc3)/C#N)cc1
inchi:
InChI=1S/C26H15Cl2N5O2/c27-15-5-9-17(10-6-15)31-25(34)21(13-29)23-19-3-1-2-4-20(19)24(33-23)22(14-30)26(35)32-18-11-7-16(28)8-12-18/h1-12,33H,(H,31,34)(H,32,35)/b23-21-,24-22+


name: 4-{[4-(diethylamino)cyclohexa-2,5-dien-1-ylidene][4-(diethylamino)phenyl]methyl}-N,N-diethylaniline
cas: 68814-02-8
chemspiderid: 9560484
formula: C31H43N3
inchikey: HOGMPEULJBVHLZ-UHFFFAOYSA-N
norman_susdat_id: NS00009818
pubchem_cid: 57357562
smiles: CCN(CC)C1C=CC(C=C1)=C(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C31H43N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,28H,7-12H2,1-6H3


name: C.I. Pigment Yellow 115
cas: 68814-04-0
dtxsid: DTXSID60920497
formula: C22H21FN6O4S
inchikey: VGYXXQRDIVRILX-UHFFFAOYSA-N
norman_susdat_id: NS00072397
pubchem_cid: 25113171
smiles: COc1cc(CS(C)(=O)=O)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
inchi:
InChI=1S/C22H21FN6O4S/c1-33-17-10-12(11-34(2,31)32)6-7-15(17)27-22-28-20-13(8-9-25-20)21(29-22)26-16-5-3-4-14(23)18(16)19(24)30/h3-10H,11H2,1-2H3,(H2,24,30)(H3,25,26,27,28,29)


name: 1-Hexadecanol, phosphate
cas: 68814-13-1
formula: -
inchikey: ZUVCYFMOHFTGDM-UHFFFAOYSA-L
norman_susdat_id: NS00091233
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)/p-2


name: Amines, tri-C8-10-alkyl
cas: 68814-95-9
dtxsid: DTXSID9029489
formula: C27H57N
inchikey: ZQJAONQEOXOVNR-UHFFFAOYSA-N
norman_susdat_id: NS00061338
pubchem_cid: 137295
smiles: N(CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C27H57N/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3


name: Thiobis[tetrapropylenephenol]
cas: 68815-67-8
dtxsid: DTXSID5028823
formula: C36H58O2S
inchikey: BPONHDMGHNNSMU-UHFFFAOYSA-N
norman_susdat_id: NS00061935
pubchem_cid: NA
smiles: OC1=CC=CC(SC=2C=CC=C(O)C2CC(C)C(CCC)C(C)CCC)=C1CC(C)C(CCC)C(C)CCC
inchi:
InChI=1/C36H58O2S/c1-9-15-25(5)29(17-11-3)27(7)23-31-33(37)19-13-21-35(31)39-36-22-14-20-34(38)32(36)24-28(8)30(18-12-4)26(6)16-10-2/h13-14,19-22,25-30,37-38H,9-12,15-18,23-24H2,1-8H3


name: Potassium 6-(3-(perfluorohexyl)sulfonyloxyphenylaminocarbonyl)perchlorobenzoate
cas: 68815-72-5
chemspiderid: 100130
dtxsid: DTXSID80881278
formula: C20H6Cl4F13N1O6S1
inchikey: VUHHRZPEJYXHPO-UHFFFAOYSA-N
norman_susdat_id: NS00011439
pubchem_cid: 111622
inchi:
InChI=1S/C20H6Cl4F13NO6S.K/c21-9-7(8(14(40)41)10(22)12(24)11(9)23)13(39)38-5-2-1-3-6(4-5)44-45(42,43)20(36,37)18(31,32)16(27,28)15(25,26)17(29,30)19(33,34)35;/h1-4H,(H,38,39)(H,40,41);/q;+1/p-1

smiles:
C2=C(NC(=O)C1=C(Cl)C(=C(Cl)C(=C1C([O-])=O)Cl)Cl)C=CC=C2O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]


name: Diethylene glycol dipalmitate
cas: 68818-39-3
chemspiderid: 91556
dtxsid: DTXSID40218920
formula: C36H70O5
inchikey: CMEXPOMWCZNLNA-UHFFFAOYSA-N
norman_susdat_id: NS00036702
pubchem_cid: 101324
smiles: CCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(37)40-33-31-39-32-34-41-36(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: 2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl dimyristate
cas: 68818-55-3
chemspiderid: 13816843
dtxsid: DTXSID00218921
formula: C34H66O5
inchikey: AURQCRBEJUZCLB-UHFFFAOYSA-N
norman_susdat_id: NS00036703
pubchem_cid: 21845366
smiles: CCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-32(36)38-30-34(6-3,29-35)31-39-33(37)28-26-24-22-20-18-16-14-12-10-8-5-2/h35H,4-31H2,1-3H3


name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diyl palmitate
cas: 68818-56-4
formula: C38H74O5
inchikey: AEFIQWRWYCOYPW-UHFFFAOYSA-N
norman_susdat_id: NS00063015
pubchem_cid: 21845369
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)CC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C38H74O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(40)42-34-38(6-3,33-39)35-43-37(41)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h39H,4-35H2,1-3H3


name: 2-(hydroxymethyl)-2-[(myristoyloxy)ethyl]propane-1,3-diyl dimyristate
cas: 68818-68-8
dtxsid: DTXSID50988526
formula: C48H92O7
inchikey: WFYWCNXSAYQTGS-UHFFFAOYSA-N
norman_susdat_id: NS00061956
pubchem_cid: NA
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)C)CCCCCCCCCCCCC
inchi:
InChI=1/C48H92O7/c1-5-8-11-14-17-20-23-26-29-32-35-38-45(50)53-42-48(41-49,43-54-46(51)39-36-33-30-27-24-21-18-15-12-9-6-2)44(4)55-47(52)40-37-34-31-28-25-22-19-16-13-10-7-3/h44,49H,5-43H2,1-4H3


name: 2-(Hydroxymethyl)-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl dipalmitate
cas: 68818-69-9
chemspiderid: 13816830
dtxsid: DTXSID60218922
formula: C53H102O7
inchikey: DJZZLZQPOWWUAH-UHFFFAOYSA-N
norman_susdat_id: NS00036704
pubchem_cid: 14252001
smiles: CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C53H102O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50(55)58-47-53(46-54,48-59-51(56)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)49-60-52(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54H,4-49H2,1-3H3


name: Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-
cas: 6883-22-3
chebiid: CHEBI:8839
chemspiderid: 391234
dtxsid: DTXSID10218937
formula: C16H20NO4
inchikey: RUZDYQSFFIVRRP-CYBMUJFWSA-O
norman_susdat_id: NS00094629
pubchem_cid: 442931
smiles: COC1=C2C[C@@H](OC2=[N+](C)C2=C1C=C(O)C=C2)C(C)(C)O
inchi:
InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1


cas: 6883-91-6
dtxsid: DTXSID80863958
formula: C36H34N8O4
inchikey: CMBVJWXIWKNGIL-UHFFFAOYSA-N
norman_susdat_id: NS00045212
pubchem_cid: 110936
smiles: O=C1N(N=C(C)C1N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)C)C(OC)=C3)C6=CC=C(C=C6)C
name:
4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]

inchi:
InChI=1/C36H34N8O4/c1-21-7-13-27(14-8-21)43-35(45)33(23(3)41-43)39-37-29-17-11-25(19-31(29)47-5)26-12-18-30(32(20-26)48-6)38-40-34-24(4)42-44(36(34)46)28-15-9-22(2)10-16-28/h7-20,33-34H,1-6H3


name: Barium thiobis[dodecylphenolate]
cas: 68832-80-4
formula: C36H58O2S.Ba
inchikey: VHASIBOSGBEJLI-UHFFFAOYSA-L
norman_susdat_id: NS00090913
smiles: [Ba+2].CCCCCCCCCCCCc1c([O-])cccc1Sc2cccc([O-])c2CCCCCCCCCCCC
inchi:
InChI=1/C36H58O2S.Ba/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(37)27-23-29-35(31)39-36-30-24-28-34(38)32(36)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2


name: 2,6-Bis(chloromethyl)-4-lauryltoluene
cas: 68833-59-0
chemspiderid: 100133
dtxsid: DTXSID0071758
formula: C21H34Cl2
inchikey: FKRMEMVMXFURIB-UHFFFAOYSA-N
norman_susdat_id: NS00036706
pubchem_cid: 111624
smiles: CCCCCCCCCCCCc1cc(CCl)c(C)c(CCl)c1
inchi:
InChI=1S/C21H34Cl2/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-20(16-22)18(2)21(15-19)17-23/h14-15H,3-13,16-17H2,1-2H3


name: Disodium 5-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]salicylate
cas: 68833-61-4
dtxsid: DTXSID00889993
formula: C21H18N5O9S
inchikey: DJOAHDBMINEIHB-UHFFFAOYSA-L
norman_susdat_id: NS00061396
pubchem_cid: 111626
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C=C2OC)C)=CC=C1O
inchi:
InChI=1/C21H17N5O9S.2Na/c1-11-7-17(25-22-12-3-6-18(27)14(8-12)21(28)29)19(35-2)10-16(11)24-23-15-5-4-13(26(30)31)9-20(15)36(32,33)34;;/h3-10,27H,1-2H3,(H,28,29)(H,32,33,34);;/q;2*+1/p-2


cas: 68833-63-6
formula: C56H112N7O9
inchikey: VIBKWALSLXXPOU-UHFFFAOYSA-M
norman_susdat_id: NS00061763
pubchem_cid: 173078
name:
Ethanaminium, 2-[[[4-[[(acetyloxy)methyl][(octadecyloxy)methyl]amino]-6-[(methoxymethyl)[(octadecyloxy)methyl]amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt)

inchi:
InChI=1/C56H112N7O9.CH4O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-69-49-60(47-67-5)54-57-55(61(48-68-6)50-71-46-41-63(4,39-42-64)40-43-65)59-56(58-54)62(52-72-53(3)66)51-70-45-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-5-6(2,3)4/h64-65H,7-52H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1

smiles:
O=C(OCN(C=1N=C(N=C(N1)N(COC)COCC[N+](C)(CCO)CCO)N(COC)COCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC)C.O=S(=O)([O-])OC


cas: 68833-64-7
chemspiderid: 4588732
dtxsid: DTXSID4071760
formula: C27H22N2O4
inchikey: YNTVBEBKDUKDRV-UHFFFAOYSA-N
norman_susdat_id: NS00036708
pubchem_cid: 5485705
smiles: CCOC(=O)c1c2c3ccccc3c(=O)c3c(Nc4ccc(C)cc4)cc(C)c([nH]c1=O)c23
name:
3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester

inchi:
InChI=1S/C27H22N2O4/c1-4-33-27(32)23-20-17-7-5-6-8-18(17)25(30)21-19(28-16-11-9-14(2)10-12-16)13-15(3)24(22(20)21)29-26(23)31/h5-13,28H,4H2,1-3H3,(H,29,31)


name: Azelaic acid, compound with 2,2'-iminodiethanol
cas: 68833-69-2
formula: C9H16O4.xC4H11NO2
inchikey: XECWYZKZWXSHOJ-UHFFFAOYSA-N
norman_susdat_id: NS00090822
smiles: OCCNCCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C4H11NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;6-3-1-5-2-4-7/h1-7H2,(H,10,11)(H,12,13);5-7H,1-4H2


name: Azelaic acid, compound with 2,2',2''-nitrilotriethanol
cas: 68833-70-5
formula: C9H16O4.xC6H15NO3
inchikey: FCKXCXDSXHADAX-UHFFFAOYSA-N
norman_susdat_id: NS00090914
smiles: OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C6H15NO3/c10-8(11)6-4-2-1-3-5-7-9(12)13;8-4-1-7(2-5-9)3-6-10/h1-7H2,(H,10,11)(H,12,13);8-10H,1-6H2


cas: 68833-83-0
formula: C23H45NO2
norman_susdat_id: NS00101834
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl]-.omega.-hydroxy-


cas: 68833-99-8
dtxsid: DTXSID8071770
formula: C24H21N3O14S4
inchikey: OMPCKRFCEXYWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00061958
pubchem_cid: 111640
name:
7-acetamido-4-hydroxy-3-[[6-sulpho-8-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C24H21N3O14S4/c1-13(28)25-16-4-5-19-15(8-16)10-22(44(35,36)37)23(24(19)29)27-26-17-3-2-14-9-18(43(32,33)34)12-21(20(14)11-17)42(30,31)7-6-41-45(38,39)40/h2-5,8-12,29H,6-7H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40)

smiles:
O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C4C=C(C=C(C4=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)C


name: Propanenitrile, 3-[[2-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-
cas: 68834-00-4
chemspiderid: 100145
dtxsid: DTXSID3071771
formula: C15H11Cl2N5O2
inchikey: GXWOMHNHOZYRMF-UHFFFAOYSA-N
norman_susdat_id: NS00036712
pubchem_cid: 111641
smiles: [O-][N+](=O)c1cc(Cl)c(cc1)N=Nc1ccc(NCCC#N)c(Cl)c1
inchi:
InChI=1S/C15H11Cl2N5O2/c16-12-8-10(2-4-14(12)19-7-1-6-18)20-21-15-5-3-11(22(23)24)9-13(15)17/h2-5,8-9,19H,1,7H2/b21-20+


cas: 68834-01-5
chemspiderid: 17287973
dtxsid: DTXSID8071772
formula: C61H37N5O7
inchikey: NNTKWSQGSXAZPC-UHFFFAOYSA-N
norman_susdat_id: NS00036713
pubchem_cid: 102438176
name:
[1,1'-Biphenyl]-4-carboxamide, 4'-[[4'-[[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]carbonyl][1,1'-biphenyl]-4-yl]azo]-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-

inchi:
InChI=1S/C61H37N5O7/c67-55-44-11-4-5-12-45(44)56(68)52-46(55)13-6-16-49(52)63-60(72)40-23-19-35(20-24-40)37-27-31-42(32-28-37)65-66-43-33-29-38(30-34-43)36-21-25-41(26-22-36)61(73)64-51-18-8-15-48-54(51)58(70)47-14-7-17-50(53(47)57(48)69)62-59(71)39-9-2-1-3-10-39/h1-34H,(H,62,71)(H,63,72)(H,64,73)/b66-65+

smiles:
O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc(cc3)c3ccc(cc3)N=Nc3ccc(cc3)c3ccc(cc3)C(=O)Nc3c4C(=O)c5c(cccc5)C(=O)c4ccc3)c1C2=O)c1ccccc1


cas: 68834-02-6
chemspiderid: 95706
dtxsid: DTXSID3071773
formula: C27H20N2O8S2
inchikey: FDEABYDIRZEBLW-UHFFFAOYSA-N
norman_susdat_id: NS00036714
pubchem_cid: 106264
smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)S(=O)(=O)O)cc1
name:
2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-

inchi:
InChI=1S/C27H20N2O8S2/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31/h2-14,29H,28H2,1H3,(H,32,33,34)


cas: 68834-03-7
chemspiderid: 17287974
dtxsid: DTXSID8071774
formula: C66H36N4O8
inchikey: FPYVZVAVJMWSOP-UHFFFAOYSA-N
norman_susdat_id: NS00036715
pubchem_cid: 102060535
name:
Benzamide, N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis-

inchi:
InChI=1S/C66H36N4O8/c71-59-45-25-24-40-38-22-20-36(68-50-28-30-52(70-66(78)34-13-5-2-6-14-34)58-56(50)62(74)42-16-8-10-18-44(42)64(58)76)32-48(38)60(72)46-26-23-39(53(45)54(40)46)37-21-19-35(31-47(37)59)67-49-27-29-51(69-65(77)33-11-3-1-4-12-33)57-55(49)61(73)41-15-7-9-17-43(41)63(57)75/h1-32,67-68H,(H,69,77)(H,70,78)

smiles:
O=C(Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cc3c(cc2)c2c4c(ccc5c6ccc(Nc7c8C(=O)c9c(cccc9)C(=O)c8c(NC(=O)c8ccccc8)cc7)cc6C(=O)c(cc2)c45)C3=O)cc1)c1ccccc1


name: Sodium 3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate
cas: 68834-04-8
formula: C16H14N4O7S.Na
inchikey: RBRLUNJQBQJIDD-UHFFFAOYSA-M
norman_susdat_id: NS00091455
smiles: [Na+].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2
inchi:
InChI=1/C16H14N4O7S.Na/c1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;+1/p-1


cas: 68834-07-1
chemspiderid: 96336
dtxsid: DTXSID8071776
formula: C33H38N8O9
inchikey: MNURKULVBXOAGD-UHFFFAOYSA-N
norman_susdat_id: NS00036716
pubchem_cid: 111644
smiles: COCN(CNn1c(=O)c2ccc3oc4c(cc(OC)cc4)c4c3c2c(cc4)c1=O)c1nc(nc(n1)N(COC)COC)N(COC)COC
name:
1H-Xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-[[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methyl]amino]-9-methoxy-

inchi:
InChI=1S/C33H38N8O9/c1-44-15-38(31-35-32(39(16-45-2)17-46-3)37-33(36-31)40(18-47-4)19-48-5)14-34-41-29(42)22-9-8-21-24-13-20(49-6)7-11-25(24)50-26-12-10-23(30(41)43)27(22)28(21)26/h7-13,34H,14-19H2,1-6H3


name: 1,5-Naphthalenedisulfonic acid, 3-[[3-methoxy-4-[(methylsulfonyl)amino]phenyl]azo]-
cas: 68834-08-2
chemspiderid: 100149
dtxsid: DTXSID3071777
formula: C18H17N3O9S3
inchikey: ROWHQOFXHWIFGG-UHFFFAOYSA-N
norman_susdat_id: NS00036717
pubchem_cid: 111645
smiles: COc1cc(ccc1NS(=O)(=O)C)N=Nc1cc2c(cccc2c(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H17N3O9S3/c1-30-16-9-11(6-7-15(16)21-31(2,22)23)19-20-12-8-14-13(18(10-12)33(27,28)29)4-3-5-17(14)32(24,25)26/h3-10,21H,1-2H3,(H,24,25,26)(H,27,28,29)/b20-19-


name: 4,6-O-benzylidene-a-D-glucopyranoside methyl bis(4-methylbenzenesulphonate)
cas: 6884-01-1
formula: C28H30O10S2
inchikey: MPNMHFPNHIKNOA-UHFFFAOYSA-N
norman_susdat_id: NS00044061
pubchem_cid: 360949
smiles: O=S(=O)(OC1C(OC)OC2COC(OC2C1OS(=O)(=O)C3=CC=C(C=C3)C)C=4C=CC=CC4)C5=CC=C(C=C5)C
inchi:
InChI=1/C28H30O10S2/c1-18-9-13-21(14-10-18)39(29,30)37-25-24-23(17-34-27(36-24)20-7-5-4-6-8-20)35-28(33-3)26(25)38-40(31,32)22-15-11-19(2)12-16-22/h4-16,23-28H,17H2,1-3H3


name: Astemizole
cas: 68844-77-9
chebiid: CHEBI:2896
chemspiderid: 2160
dtxsid: DTXSID9020110
formula: C28H31F1N4O1
inchikey: GXDALQBWZGODGZ-UHFFFAOYSA-N
norman_susdat_id: NS00008521
pubchem_cid: 2247
smiles: COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
inchi:
InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)


name: Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
cas: 68845-02-3
dtxsid: DTXSID9052422
formula: C17H21NO2
inchikey: GZMGSIZLVIFVKF-UHFFFAOYSA-N
norman_susdat_id: NS00061429
pubchem_cid: 111378
smiles: O=C(OC)C=1C=CC=CC1N=CC2CCC(=CC2C)C
inchi:
InChI=1/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13-14H,8-9H2,1-3H3


name: N,N''-(methylphenylene)bis[N'-[3-(triethoxysilyl)propyl]urea]
cas: 68845-12-5
dtxsid: DTXSID7071781
formula: C27H52N4O8Si2
inchikey: JJSXKJIZVCWEAT-UHFFFAOYSA-N
norman_susdat_id: NS00063062
pubchem_cid: 173088
smiles: O=C(NC1=CC=CC(=C1NC(=O)NCCC[Si](OCC)(OCC)OCC)C)NCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C27H52N4O8Si2/c1-8-34-40(35-9-2,36-10-3)21-15-19-28-26(32)30-24-18-14-17-23(7)25(24)31-27(33)29-20-16-22-41(37-11-4,38-12-5)39-13-6/h14,17-18H,8-13,15-16,19-22H2,1-7H3,(H2,28,30,32)(H2,29,31,33)


name: 1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)vinyl]-3H-indolium hydrogen sulphate
cas: 68845-14-7
dtxsid: DTXSID30890996
formula: C22H23N2
inchikey: BDJFQERXSWMBCA-IERUDJENSA-L
norman_susdat_id: NS00062006
pubchem_cid: 94642
smiles: O=S(=O)([O-])[O-].N=1C=2C=CC=CC2C(C=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C1C
inchi:
InChI=1/C22H23N2.H2O4S/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h5-14,16H,1-4H3;(H2,1,2,3,4)/q+1;/p-2


cas: 68845-15-8
chemspiderid: 151139
dtxsid: DTXSID2071782
formula: C44H24N4O8
inchikey: CDUBTZSRLPGVRQ-UHFFFAOYSA-N
norman_susdat_id: NS00036723
pubchem_cid: 173089
name:
2-Anthracenecarboxamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis[1-amino-9,10-dihydro-9,10-dioxo-

inchi:
InChI=1S/C44H24N4O8/c45-35-27(17-15-25-33(35)39(51)21-9-3-1-7-19(21)37(25)49)43(55)47-29-13-5-11-23-31(29)41(53)24-12-6-14-30(32(24)42(23)54)48-44(56)28-18-16-26-34(36(28)46)40(52)22-10-4-2-8-20(22)38(26)50/h1-18H,45-46H2,(H,47,55)(H,48,56)

smiles:
Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1C(=O)Nc1cccc2c1C(=O)c1c(c(NC(=O)c3ccc4C(=O)c5c(cccc5)C(=O)c4c3N)ccc1)C2=O


name: N,N'-bis[3-(trimethoxysilyl)propyl]ethylenediamine
cas: 68845-16-9
dtxsid: DTXSID2044977
formula: C14H36N2O6Si2
inchikey: HZGIOLNCNORPKR-UHFFFAOYSA-N
norman_susdat_id: NS00061430
pubchem_cid: 111651
smiles: O(C)[Si](OC)(OC)CCCNCCNCCC[Si](OC)(OC)OC
inchi:
InChI=1/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3


name: 1,3,5-Triazine-2,4,6-tris(2-hydroxyethyl)tris(methacrylate)
cas: 68845-21-6
chemspiderid: 95835
dtxsid: DTXSID7071783
formula: C21H27N3O6
inchikey: AGEXUCKZTAUZJM-UHFFFAOYSA-N
norman_susdat_id: NS00020021
pubchem_cid: 111652
smiles: CC(=C)C(=O)OCCc1nc(CCOC(=O)C(=C)C)nc(CCOC(=O)C(=C)C)n1
inchi:
InChI=1S/C21H27N3O6/c1-13(2)19(25)28-10-7-16-22-17(8-11-29-20(26)14(3)4)24-18(23-16)9-12-30-21(27)15(5)6/h1,3,5,7-12H2,2,4,6H3


name: Sodium 1-hydroxy-3,7-dimethyloctanesulphonate
cas: 68845-22-7
dtxsid: DTXSID40887514
formula: C10H22O4S
inchikey: VEXXEVGEYIMTSB-UHFFFAOYSA-M
norman_susdat_id: NS00062007
pubchem_cid: 111380
smiles: [Na+].O=S(=O)([O-])C(O)CC(C)CCCC(C)C
inchi:
InChI=1/C10H22O4S.Na/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14;/h8-11H,4-7H2,1-3H3,(H,12,13,14);/q;+1/p-1


name: Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.
cas: 68845-33-0
chemspiderid: 99936
dtxsid: DTXSID4052423
formula: C15H24
inchikey: XVRFIWWOQCZTPI-UHFFFAOYNA-N
norman_susdat_id: NS00019747
pubchem_cid: NA
smiles: CC(C)C1CC(C(=C)C)C(C)(C=C)C=C1
inchi:
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,11,13-14H,1,4,10H2,2-3,5-6H3/t13-,14-,15-/m0/s1


cas: 68845-40-9
formula: -
inchikey: JKYORNJMZMKAGV-SVMKZPJVSA-N
norman_susdat_id: NS00090936
smiles: CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.CCCCCCCC\C=C/CCCCCCCC(=O)N(CCN)CCO
name:
Phosphoric acid, tridecyl ester, compd. with (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)-9-octadecenamide

inchi:
InChI=1/C30H63O4P.C22H44N2O2/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h4-30H2,1-3H3;9-10,25H,2-8,11-21,23H2,1H3


name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diyl dilaurate
cas: 68849-44-5
formula: C30H58O5
inchikey: CJONEYCGBCRINF-UHFFFAOYSA-N
norman_susdat_id: NS00061431
pubchem_cid: 21845372
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCCCCC)CC)CCCCCCCCCCC
inchi:
InChI=1/C30H58O5/c1-4-7-9-11-13-15-17-19-21-23-28(32)34-26-30(6-3,25-31)27-35-29(33)24-22-20-18-16-14-12-10-8-5-2/h31H,4-27H2,1-3H3


cas: 6885-57-0
chebiid: CHEBI:174444
dtxsid: DTXSID20988553
formula: C17H14O7
inchikey: OQLKWHFMUPJCJY-UHFFFAOYSA-N
norman_susdat_id: NS00044712
pubchem_cid: 23318
smiles: O=C1OC2=C(C(OC)=CC=3OC4OCCC4(O)C32)C5=C1C(=O)CC5
name:
2,3,6a,8,9,9a-hexahydro-9a-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione

inchi:
InChI=1/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3


name: Benzene, C14-30-alkyl derivs.
cas: 68855-24-3
dtxsid: DTXSID0028824
formula: C28H50
inchikey: MEYUFRQDILUMEC-UHFFFAOYSA-N
norman_susdat_id: NS00061788
pubchem_cid: 521731
smiles: C=1C=CC(=CC1)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28/h21,23-24,26-27H,2-20,22,25H2,1H3


name: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-[3-(1-methylethoxy)propyl]-
cas: 68856-25-7
chemspiderid: 95848
dtxsid: DTXSID2071786
formula: C22H21N3O5
inchikey: CLWTUYRFIABBIN-UHFFFAOYSA-N
norman_susdat_id: NS00036727
pubchem_cid: 111659
smiles: CC(C)OCCCn1c(=O)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C22H21N3O5/c1-10(2)30-9-5-8-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-6-3-4-7-12(11)20(14)27/h3-4,6-7,10H,5,8-9,23-24H2,1-2H3


name: N-[(Z)-octadec-9-enyl]propane-1,3-diamine acetate
cas: 68856-30-4
formula: C21H44N2.xC2H4O2
inchikey: VRZCLRBQXKWXBG-KVVVOXFISA-N
norman_susdat_id: NS00090726
smiles: CCCCCCCC\C=C/CCCCCCCCNCCCN.CC(=O)O
inchi:
InChI=1/C21H44N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;1H3,(H,3,4)


name: Choline 2-ethylhexanoate
cas: 68856-36-0
formula: C8H15O2.C5H14NO
inchikey: XUZNXNABRSCKOA-UHFFFAOYSA-M
norman_susdat_id: NS00091315
smiles: CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO
inchi:
InChI=1/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valine
cas: 68858-20-8
formula: C20H21NO4
inchikey: UGNIYGNGCNXHTR-SFHVURJKSA-N
norman_susdat_id: NS00062773
pubchem_cid: 688217
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(C)C
inchi:
InChI=1/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)


name: 3-(butoxycarbonyl)-1-methylpyridinium methyl sulphate
cas: 68867-59-4
dtxsid: DTXSID7071789
formula: C11H16NO2
inchikey: PQXZEJDABLZLMP-UHFFFAOYSA-M
norman_susdat_id: NS00061566
pubchem_cid: 111665
smiles: O=C(OCCCC)C1=CC=C[N+](=C1)C.O=S(=O)([O-])OC
inchi:
InChI=1/C11H16NO2.CH4O4S/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10;1-5-6(2,3)4/h5-7,9H,3-4,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 68867-63-0
dtxsid: DTXSID6071790
formula: C36H18Cl6N12O14S4
inchikey: PBHDZJKUIUNLHC-UHFFFAOYSA-J
norman_susdat_id: NS00061165
pubchem_cid: NA
name:
Tetrasodium 6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulphonatophenyl]amino]triphenodioxazinedisulphonate

inchi:
InChI=1/C36H18Cl6N12O14S4.4Na/c37-22-25-27(67-18-7-11(1-4-14(18)47-25)43-15-5-2-12(8-20(15)69(55,56)57)44-35-51-31(39)49-32(40)52-35)23(38)26-28(22)68-19-10-17(29(71(61,62)63)30(24(19)48-26)72(64,65)66)46-16-6-3-13(9-21(16)70(58,59)60)45-36-53-33(41)50-34(42)54-36;;;;/h1-10,43,46H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,44,49,51,52)(H,45,50,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1NC2=CC=C3N=C4C(Cl)=C5OC=6C=C(NC7=CC=C(C=C7S(=O)(=O)[O-])NC=8N=C(Cl)N=C(Cl)N8)C(=C(C6N=C5C(Cl)=C4OC3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC=9N=C(Cl)N=C(Cl)N9


name: 2-heptadecyl-1-methyl-1H-benzimidazole methyl sulphate
cas: 68867-65-2
dtxsid: DTXSID1071791
formula: C25H42N2
inchikey: XMDZJBIDPCECHF-UHFFFAOYSA-M
norman_susdat_id: NS00061589
pubchem_cid: 111670
smiles: O=S(=O)([O-])OC.N=1C=2C=CC=CC2N(C1CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C25H42N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26-23-20-18-19-21-24(23)27(25)2;1-5-6(2,3)4/h18-21H,3-17,22H2,1-2H3;1H3,(H,2,3,4)/p-1


name: 1,3-Propanediamine, N-[3-(octadecyloxy)propyl]-
cas: 68867-66-3
chemspiderid: 95858
dtxsid: DTXSID6071792
formula: C24H52N2O1
inchikey: IIGPZNTWBXMEFO-UHFFFAOYSA-N
norman_susdat_id: NS00036729
pubchem_cid: 111671
smiles: CCCCCCCCCCCCCCCCCCOCCCNCCCN
inchi:
InChI=1S/C24H52N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-24-19-22-26-21-18-20-25/h26H,2-25H2,1H3


name: GELSEMICINE
cas: 6887-28-1
chebiid: CHEBI:5293
chemspiderid: 4575403
dtxsid: DTXSID20420145
formula: C20H26N2O4
inchikey: RIHQHYIWKHVLRH-XKTBTPLDSA-N
norman_susdat_id: NS00094660
pubchem_cid: 5462428
smiles: CC[C@H]1N[C@H]2C[C@]3([C@H]4C[C@@H]1[C@@H]2CO4)C(=O)N(OC)C1=C3C=CC(OC)=C1
inchi:
InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1


name: 1-Hexanol, 2-ethyl-, diesters with C5-12 dicarboxylic acids
cas: 68876-87-9
dtxsid: DTXSID4028830
formula: C24H46O6
inchikey: NYTPTDFCOOWIGR-UHFFFAOYSA-N
norman_susdat_id: NS00062798
pubchem_cid: 22833366
smiles: O=C(OCCCCC(CO)CC)CCCCCCC(=O)OCCCCC(CO)CC
inchi:
InChI=1/C24H46O6/c1-3-21(19-25)13-9-11-17-29-23(27)15-7-5-6-8-16-24(28)30-18-12-10-14-22(4-2)20-26/h21-22,25-26H,3-20H2,1-2H3


name: Elubrixin
cas: 688763-64-6
dtxsid: DTXSID60218962
formula: C17H17Cl2FN4O4S
inchikey: YQYFEGTYCUQBEI-UHFFFAOYSA-N
norman_susdat_id: NS00072300
pubchem_cid: 10479502
smiles: O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
inchi:
InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)


name: 4-[(carboxymethyl)amino]dodecenyl-4-oxobutyric acid
cas: 68877-11-2
formula: C18H31NO5
inchikey: XFQUDOYKQFPARC-UHFFFAOYSA-N
norman_susdat_id: NS00061590
pubchem_cid: NA
smiles: O=C(O)CNC(=CCCCCCCCCCC)C(=O)CCC(=O)O
inchi:
InChI=1/C18H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19-14-18(23)24)16(20)12-13-17(21)22/h11,19H,2-10,12-14H2,1H3,(H,21,22)(H,23,24)


name: 1-[(dodecylphenyl)methyl]quinolinium
cas: 68877-28-1
dtxsid: DTXSID60988577
formula: C28H38N
inchikey: CNLZTMKTPMBSIV-UHFFFAOYSA-N
norman_susdat_id: NS00061801
pubchem_cid: 173112
smiles: C=1C=CC2=C(C1)C=CC=[N+]2CC=3C=CC=CC3CCCCCCCCCCCC
inchi:
InChI=1/C28H38N/c1-2-3-4-5-6-7-8-9-10-11-17-25-18-12-13-20-27(25)24-29-23-16-21-26-19-14-15-22-28(26)29/h12-16,18-23H,2-11,17,24H2,1H3/q+1


cas: 68877-33-8
dtxsid: DTXSID30889981
formula: C28H23N9O7S2
inchikey: DTKXMLMMQXFTMG-UHFFFAOYSA-L
norman_susdat_id: NS00061591
pubchem_cid: 135853579
name:
Disodium 4-amino-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H23N9O7S2.2Na/c29-16-6-11-21(20(30)14-16)35-32-18-7-9-19(10-8-18)34-36-26-22(45(39,40)41)12-15-13-23(46(42,43)44)27(28(38)24(15)25(26)31)37-33-17-4-2-1-3-5-17;;/h1-14,38H,29-31H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(N)C=C4N)C=C3)C(N)=C2C(O)=C1N=NC=5C=CC=CC5)S(=O)(=O)[O-]


name: N-[3-[(2-ethylhexyl)oxy]propyl]propane-1,3-diamine monoacetate
cas: 68877-35-0
formula: C14H32N2O.C2H4O2
inchikey: UVOBIASOMQLCEF-UHFFFAOYSA-N
norman_susdat_id: NS00090854
smiles: CCCCC(CC)COCCCNCCCN.CC(=O)O
inchi:
InChI=1/C14H32N2O.C2H4O2/c1-3-5-8-14(4-2)13-17-12-7-11-16-10-6-9-15;1-2(3)4/h14,16H,3-13,15H2,1-2H3;1H3,(H,3,4)


cas: 68877-38-3
formula: C16F30O
norman_susdat_id: NS00101744
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]-.omega.-[[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]oxy]-


cas: 68877-51-0
formula: C9H3F15O
norman_susdat_id: NS00101732
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[1,4,4,5,5,5-hexafluoro-1,2,3-tris(trifluoromethyl)-2-pentenyl]-.omega.-methoxy-


name: SODIUM CAPRYLOAM- PHOPROPIONATE
cas: 68877-55-4
chemspiderid: 100173
formula: C15H28N2O3
inchikey: MWOOKWLIWHVLTJ-UHFFFAOYSA-N
norman_susdat_id: NS00014048
pubchem_cid: 111678
smiles: [Na+].CCCCCCCC1=NCCN1CCOCCC([O-])=O
inchi:
InChI=1S/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16-9-10-17(14)11-13-20-12-8-15(18)19;/h2-13H2,1H3,(H,18,19);/q;+1/p-1


name: 5-[[4-[benzylethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 68877-61-2
dtxsid: DTXSID90988580
formula: C19H24N6
inchikey: CIFZXSYZYTZRFL-UHFFFAOYSA-N
norman_susdat_id: NS00061820
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.N(=NC1N(C=N[NH+]1C)C)C2=CC=C(C=C2)N(CC=3C=CC=CC3)CC
inchi:
InChI=1/C19H24N6.CH4O4S/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-5-6(2,3)4/h5-13,15,19H,4,14H2,1-3H3;1H3,(H,2,3,4)


