# cl_id

name: 3,3-dibutyl-2,4,3-benzodioxastannepin-1,5-dione
cas: 6688-50-2
dtxsid: DTXSID90217029
formula: C16H22O4Sn
inchikey: VYVFQBFOMKEKBG-UHFFFAOYSA-L
norman_susdat_id: NS00047776
pubchem_cid: NA
smiles: O=C1O[Sn](OC(=O)C=2C=CC=CC12)(CCCC)CCCC
inchi:
InChI=1/C8H6O4.2C4H9.Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3-4-2;/h1-4H,(H,9,10)(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2/rC16H22O4Sn/c1-3-5-11-21(12-6-4-2)19-15(17)13-9-7-8-10-14(13)16(18)20-21/h7-10H,3-6,11-12H2,1-2H3


name: Benzonitrile, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]-5-nitro-
cas: 66882-16-4
chemspiderid: 95051
dtxsid: DTXSID1070480
formula: C22H23N5O6
inchikey: YAOMDDRLRVOOIC-UHFFFAOYSA-N
norman_susdat_id: NS00020867
pubchem_cid: 105388
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C22H23N5O6/c1-15-12-19(26(8-10-32-16(2)28)9-11-33-17(3)29)4-6-21(15)24-25-22-7-5-20(27(30)31)13-18(22)14-23/h4-7,12-13H,8-11H2,1-3H3


name: Talniflumate
cas: 66898-62-2
dtxsid: DTXSID3046740
formula: C21H13F3N2O4
inchikey: ANMLJLFWUCQGKZ-HXUWFJFHSA-N
norman_susdat_id: NS00068357
smiles: O=C1O[C@H](OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21
inchi:
InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)/t20-/m1/s1


name: CP-863187
cas: 668981-02-0
chemspiderid: 8125432
dtxsid: DTXSID0047294
formula: C18H14F2N4O1
inchikey: UACOXBQBNWQWOK-UHFFFAOYSA-N
norman_susdat_id: NS00015619
pubchem_cid: 9949821
smiles: CC(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=C(C=CC(=C4)F)F
inchi:
InChI=1S/C18H14F2N4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-7-12(19)4-5-14(13)20/h3-10H,1-2H3


name: NORBIOTIN
cas: 669-72-7
dtxsid: DTXSID40332236
formula: C9H14N2O3S
inchikey: AINAXQHKYSZESH-HAFWLYHUSA-N
norman_susdat_id: NS00070064
pubchem_cid: 446903
smiles: O=C(O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
inchi:
InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1


cas: 669005-94-1
chemspiderid: 9780500
dtxsid: DTXSID90889200
formula: C28H23F3N6
inchikey: FOICTPKVVFHDJU-UHFFFAOYSA-N
norman_susdat_id: NS00007412
pubchem_cid: 11605744
smiles: Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c(C#N)c(C)c2N=Nc2ccccc2C(F)(F)F)cc1
name:
3-Pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenyl)amino]-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-

inchi:
InChI=1S/C28H23F3N6/c1-17-8-12-20(13-9-17)33-26-22(16-32)19(3)25(27(35-26)34-21-14-10-18(2)11-15-21)37-36-24-7-5-4-6-23(24)28(29,30)31/h4-15H,1-3H3,(H2,33,34,35)


name: N5-(Aminocarbonyl)-N2-((phenylmethoxy)carbonyl)-L-ornithine
cas: 6692-89-3
chemspiderid: 99821
dtxsid: DTXSID30217068
formula: C14H19N3O5
inchikey: FCRRSTCOJQAZEG-NSHDSACASA-N
norman_susdat_id: NS00036079
pubchem_cid: 111232
smiles: NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C14H19N3O5/c15-13(20)16-8-4-7-11(12(18)19)17-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,21)(H,18,19)(H3,15,16,20)/t11-/m0/s1


cas: 6694-64-0
dtxsid: DTXSID6064454
formula: C21H13Cl2N5O8S2
inchikey: QEGZDILPMJSNCK-UHFFFAOYSA-N
norman_susdat_id: NS00047777
pubchem_cid: 81193
smiles: O=C(NC=1C=CC2=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)O)C(O)=C2C1)S(=O)(=O)O)C4=CC(Cl)=NN=C4Cl
name:
6-(3,6-dichloropyridazine-4-carboxamido)-4-hydroxy-3-[(p-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C21H13Cl2N5O8S2/c22-17-9-15(20(23)28-26-17)21(30)24-12-2-1-10-7-16(38(34,35)36)18(19(29)14(10)8-12)27-25-11-3-5-13(6-4-11)37(31,32)33/h1-9,29H,(H,24,30)(H,31,32,33)(H,34,35,36)


name: (5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-6-hydroxy-17,17-dimethylmorphinanium iodide
cas: 6696-59-9
dtxsid: DTXSID70985693
formula: C20H26NO3
inchikey: JNOZRSPHCSIWDK-BRVQCBAPSA-M
norman_susdat_id: NS00047185
pubchem_cid: 5464193
smiles: [I-].OC1C=CC2C3CC4=CC=C(OCC)C=5OC1C2(C54)CC[N+]3(C)C
inchi:
InChI=1/C20H26NO3.HI/c1-4-23-16-8-5-12-11-14-13-6-7-15(22)19-20(13,9-10-21(14,2)3)17(12)18(16)24-19;/h5-8,13-15,19,22H,4,9-11H2,1-3H3;1H/q+1;/p-1


name: 4-methyl-2-oxo-2H-1-benzopyran-7-yl a-L-ido-pyranosiduronic acid
cas: 66966-09-4
formula: C16H16O9
inchikey: ARQXEQLMMNGFDU-ZHMBSYLPSA-N
norman_susdat_id: NS00086625
smiles: CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)ccc12
inchi:
InChI=1/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)


name: (2,3-dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate
cas: 66972-35-8
dtxsid: DTXSID60985783
formula: C22H15NO4
inchikey: YNXNJJJLDKPZGZ-UHFFFAOYSA-N
norman_susdat_id: NS00053633
pubchem_cid: 3017719
smiles: O=C(OCC1(C(=O)C=2C=CC=CC2C1=O)C=3C=CC=CC3)C=4C=NC=CC4
inchi:
InChI=1/C22H15NO4/c24-19-17-10-4-5-11-18(17)20(25)22(19,16-8-2-1-3-9-16)14-27-21(26)15-7-6-12-23-13-15/h1-13H,14H2


cas: 66975-54-0
dtxsid: DTXSID70217183
formula: C21H24N6O6
inchikey: ITGFXWLYTIYANG-UHFFFAOYSA-N
norman_susdat_id: NS00053716
pubchem_cid: NA
smiles: O=C1N=C(NC=2N=NNC12)C=3C=C(C=CC3OCCC)NC=C(C(=O)OCC)C(=O)OCC
name:
Diethyl [[[3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]amino]methylene]malonate

inchi:
InChI=1/C21H24N6O6/c1-4-9-33-15-8-7-12(22-11-14(20(29)31-5-2)21(30)32-6-3)10-13(15)17-23-18-16(19(28)24-17)25-27-26-18/h7-8,10-11,22H,4-6,9H2,1-3H3,(H2,23,24,25,26,27,28)


name: Dnc007261
cas: 669764-18-5
formula: C17H13F3N2O2
inchikey: ZDUDMCQPFKPISO-UHFFFAOYSA-N
norman_susdat_id: NS00070327
smiles: C=CCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21
inchi:
InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2


name: Tianeptine
cas: 66981-73-5
chebiid: CHEBI:91749
chemspiderid: 62102
dtxsid: DTXSID7048295
formula: C21H25Cl1N2O4S1
inchikey: JICJBGPOMZQUBB-UHFFFAOYSA-N
norman_susdat_id: NS00008095
pubchem_cid: 68870
smiles: CN1c2ccccc2C(NCCCCCCC(O)=O)c2ccc(Cl)cc2S1(=O)=O
inchi:
InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)


name: 3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-amine 5,5-dioxide
cas: 66981-75-7
dtxsid: DTXSID90985791
formula: C14H13ClN2O2S
inchikey: IGSJOGMOHGCKOZ-UHFFFAOYSA-N
norman_susdat_id: NS00053178
pubchem_cid: 6455405
smiles: O=S1(=O)C2=CC(Cl)=CC=C2C(N)C=3C=CC=CC3N1C
inchi:
InChI=1/C14H13ClN2O2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,16H2,1H3


name: Sodium isostearoyl-2-lactylate
cas: 66988-04-3
chemspiderid: 2289747
dtxsid: DTXSID5042405
formula: C24H44O6
inchikey: FOSNFLMXYRQNAF-UHFFFAOYNA-M
norman_susdat_id: NS00019621
pubchem_cid: NA
smiles: [Na+].CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1S/C24H44O6/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)29-21(4)24(28)30-20(3)23(26)27/h19-21H,5-18H2,1-4H3,(H,26,27)/t20-,21-/m1/s1


name: Geranylgeranyl pyrophosphate
cas: 6699-20-3
chebiid: CHEBI:48861
chemspiderid: 715
formula: C20H36O7P2
inchikey: OINNEUNVOZHBOX-QIRCYJPOSA-N
norman_susdat_id: NS00015126
pubchem_cid: 447277
smiles: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C
inchi:
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+


name: N-[3-(diethylamino)propyl]benzamide
cas: 66999-80-2
dtxsid: DTXSID00877638
formula: C14H22N2O
inchikey: QSDABNKMCBDWQI-UHFFFAOYSA-N
norman_susdat_id: NS00054538
pubchem_cid: 2057902
smiles: O=C(NCCCN(CC)CC)C=1C=CC=CC1
inchi:
InChI=1/C14H22N2O/c1-3-16(4-2)12-8-11-15-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)


name: Thiamine hydrochloride
cas: 67-03-8
chebiid: CHEBI:49105
formula: C12H17N4OS.ClH.Cl
inchikey: DPJRMOMPQZCRJU-UHFFFAOYSA-M
norman_susdat_id: NS00079086
smiles: Cl.[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
inchi:
InChI=1/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1


cas: 67-16-3
formula: C24H34N8O4S2
inchikey: GFEGEDUIIYDMOX-UHFFFAOYSA-N
norman_susdat_id: NS00078953
smiles: CC(=C(CCO)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)N(Cc2cnc(C)nc2N)C=O
name:
N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide

inchi:
InChI=1/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)


name: Tetrac
cas: 67-30-1
chebiid: CHEBI:131194
chemspiderid: 58995
dtxsid: DTXSID5048186
formula: C14H8I4O4
inchikey: PPJYSSNKSXAVDB-UHFFFAOYSA-N
norman_susdat_id: NS00015629
pubchem_cid: 65552
smiles: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)O
inchi:
InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)


name: Egtazic Acid
cas: 67-42-5
chebiid: CHEBI:30740
chemspiderid: 4590
dtxsid: DTXSID2045151
formula: C14H24N2O10
inchikey: DEFVIWRASFVYLL-UHFFFAOYSA-N
norman_susdat_id: NS00014959
pubchem_cid: 6207
smiles: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: Pentetic acid
cas: 67-43-6
chebiid: CHEBI:35739
chemspiderid: 2945
dtxsid: DTXSID2023434
formula: C14H23N3O10
inchikey: QPCDCPDFJACHGM-UHFFFAOYSA-N
norman_susdat_id: NS00007493
pubchem_cid: 3053
smiles: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
inchi:
InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)


name: Fluocinolone acetonide
cas: 67-73-2
chebiid: CHEBI:31623
chemspiderid: 5980
dtxsid: DTXSID0040674
formula: C24H30F2O6
inchikey: FEBLZLNTKCEFIT-VSXGLTOVSA-N
norman_susdat_id: NS00008944
pubchem_cid: 6215
inchi:
InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

smiles:
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO


name: Triamcinolone 16-a,21-di(acetate)
cas: 67-78-7
dtxsid: DTXSID0048713
formula: C25H31FO8
inchikey: XGMPVBXKDAHORN-UHFFFAOYSA-N
norman_susdat_id: NS00041322
pubchem_cid: 539244
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(OC(=O)C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3


name: Penmesterol
cas: 67-81-2
chebiid: CHEBI:135567
formula: C25H38O2
inchikey: ZUBDXGHKAAMAAA-RFXJPFPRSA-N
norman_susdat_id: NS00041188
pubchem_cid: 20054971
smiles: OC1(C)CCC2C3CC=C4C=C(OC5CCCC5)CCC4(C)C3CCC21C
inchi:
InChI=1/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3


name: [2-[[[1,1'-bicyclohexyl]-1-ylcarbonyl]oxy]ethyl]diethylammonium chloride
cas: 67-92-5
chebiid: CHEBI:4515
formula: C19H35NO2.ClH
inchikey: GUBNMFJOJGDCEL-UHFFFAOYSA-N
norman_susdat_id: NS00078831
smiles: [Cl-].CC[NH+](CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
inchi:
InChI=1/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H


name: Dihydrotachysterol
cas: 67-96-9
dtxsid: DTXSID5022938
formula: C28H46O
inchikey: ILYCWAKSDCYMBB-QHOORVTFSA-N
norman_susdat_id: NS00041323
pubchem_cid: 3070
smiles: OC1CC(=CC=C2CCCC3(C)C2CCC3C(C=CC(C)C(C)C)C)C(C)CC1
inchi:
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3


name: Vitamin D3
cas: 67-97-0
chebiid: CHEBI:145213
chemspiderid: 4446800
dtxsid: DTXSID6026294
formula: C27H44O1
inchikey: QYSXJUFSXHHAJI-FVUVGDFOSA-N
norman_susdat_id: NS00008889
pubchem_cid: 5283711
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C1/C[C@@H](O)CCC1=C
inchi:
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1


name: Gliotoxin
cas: 67-99-2
chebiid: CHEBI:5385
chemspiderid: 5988
dtxsid: DTXSID60877179
formula: C13H14N2O4S2
inchikey: FIVPIPIDMRVLAY-RBJBARPLSA-N
norman_susdat_id: NS00011815
pubchem_cid: 6223
smiles: CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O
inchi:
InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1


name: Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate, compound with citric acid (1:1)
cas: 6700-56-7
chebiid: CHEBI:31567
formula: C16H23NO2.C6H8O7
inchikey: KCVHFFSPDODYOG-UHFFFAOYSA-N
norman_susdat_id: NS00082456
smiles: CCOC(=O)C1(CCCN(C)CC1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 5-Hydroxy-N-acetyltryptophan
cas: 67010-10-0
chemspiderid: 114097
dtxsid: DTXSID70217209
formula: C13H14N2O4
inchikey: MOFGVUQTFJGNSG-LBPRGKRZSA-N
norman_susdat_id: NS00036083
pubchem_cid: 128749
smiles: CC(=O)N[C@@H](Cc1c[nH]c2c1cc(O)cc2)C(=O)O
inchi:
InChI=1S/C13H14N2O4/c1-7(16)15-12(13(18)19)4-8-6-14-11-3-2-9(17)5-10(8)11/h2-3,5-6,12,14,17H,4H2,1H3,(H,15,16)(H,18,19)/t12-/m0/s1


cas: 67014-91-9
formula: C27H32N2O7SSe
inchikey: BFVRDZWARVFFCO-UHFFFAOYSA-N
norman_susdat_id: NS00086626
smiles: CC[n+]3c4cc(OC)ccc4oc3C=C(CC)C=C2[Se]c1cc(OC)c(cc1N2CCCS([O-])(=O)=O)OC
name:
2-[2-[[5,6-dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5-methoxybenzoxazolium

inchi:
InChI=1/C27H32N2O7SSe/c1-6-18(13-26-28(7-2)20-15-19(33-3)9-10-22(20)36-26)14-27-29(11-8-12-37(30,31)32)21-16-23(34-4)24(35-5)17-25(21)38-27/h9-10,13-17H,6-8,11-12H2,1-5H3


name: Norverapamil
cas: 67018-85-3
chebiid: CHEBI:134080
chemspiderid: 94724
dtxsid: DTXSID80873799
formula: C26H36N2O4
inchikey: UPKQNCPKPOLASS-UHFFFAOYSA-N
norman_susdat_id: NS00004446
pubchem_cid: 104972
smiles: COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
inchi:
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3


name: Crenolanib
cas: 670220-88-9
chebiid: CHEBI:145365
dtxsid: DTXSID50985873
formula: C26H29N5O2
inchikey: DYNHJHQFHQTFTP-UHFFFAOYSA-N
norman_susdat_id: NS00069320
pubchem_cid: 10366136
smiles: CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
inchi:
InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3


name: 7-undecylquinolin-8-ol
cas: 67024-75-3
dtxsid: DTXSID70985875
formula: C20H29NO
inchikey: GWEBMPLMIBHPCC-UHFFFAOYSA-N
norman_susdat_id: NS00053675
pubchem_cid: 3017721
smiles: OC=1C2=NC=CC=C2C=CC1CCCCCCCCCCC
inchi:
InChI=1/C20H29NO/c1-2-3-4-5-6-7-8-9-10-12-18-15-14-17-13-11-16-21-19(17)20(18)22/h11,13-16,22H,2-10,12H2,1H3


name: 2,2-bis(hydroxymethyl)butyl (R)-12-hydroxyoleate
cas: 67025-99-4
formula: C24H46O5
inchikey: ZKAPWSZGZJBXME-QOYCNBSOSA-N
norman_susdat_id: NS00053676
pubchem_cid: 20837964
smiles: O=C(OCC(CO)(CO)CC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C24H46O5/c1-3-5-6-13-16-22(27)17-14-11-9-7-8-10-12-15-18-23(28)29-21-24(4-2,19-25)20-26/h11,14,22,25-27H,3-10,12-13,15-21H2,1-2H3


name: Naphthalene-1-acetic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 67026-10-2
formula: C12H10O2.C6H15NO3
inchikey: JYSSLDLFRGGWFR-UHFFFAOYSA-N
norman_susdat_id: NS00087370
smiles: OCCN(CCO)CCO.OC(=O)Cc1cccc2ccccc12
inchi:
InChI=1/C12H10O2.C6H15NO3/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;8-4-1-7(2-5-9)3-6-10/h1-7H,8H2,(H,13,14);8-10H,1-6H2


name: Acetylcodeine
cas: 6703-27-1
chemspiderid: 4588962
formula: C20H23N1O4
inchikey: MFXFQKMUCYHPFQ-BKRJIHRRSA-N
norman_susdat_id: NS00010422
pubchem_cid: 5486550
smiles: O=C(O[C@H]2C=C/[C@H]5[C@@H]4N(CC[C@@]51c3c(O[C@H]12)c(OC)ccc3C4)C)C
inchi:
InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1


name: Cyclopentane, heneicosyl-
cas: 6703-82-8
dtxsid: DTXSID40217296
formula: C26H52
inchikey: GNECQVKDNNGLCG-UHFFFAOYSA-N
norman_susdat_id: NS00096059
smiles: CCCCCCCCCCCCCCCCCCCCCC1CCCC1
inchi:
InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-26/h26H,2-25H2,1H3


name: Benzoic acid, 3,5-dihexanamido-2,4,6-triiodo-
cas: 67032-31-9
chemspiderid: 44588
dtxsid: DTXSID40217312
formula: C19H25I3N2O4
inchikey: RRCCBBFPHXTAFB-UHFFFAOYSA-N
norman_susdat_id: NS00005926
pubchem_cid: 49015
smiles: CCCCCC(=O)Nc1c(I)c(NC(=O)CCCCC)c(I)c(C(O)=O)c1I
inchi:
InChI=1S/C19H25I3N2O4/c1-3-5-7-9-11(25)23-17-14(20)13(19(27)28)15(21)18(16(17)22)24-12(26)10-8-6-4-2/h3-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)


name: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
cas: 67035-22-7
chebiid: CHEBI:168902
chemspiderid: 114101
dtxsid: DTXSID9052347
formula: C17H16N2O6
inchikey: UMQHJQGNGLQJPF-UHFFFAOYSA-N
norman_susdat_id: NS00008067
pubchem_cid: 128753
smiles: COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1N(=O)=O
inchi:
InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3


name: Desmethyldoxepin, (E)-
cas: 67035-76-1
chebiid: CHEBI:142340
dtxsid: DTXSID60217319
formula: C18H19NO
inchikey: HVKCEFHNSNZIHO-MHWRWJLKSA-N
norman_susdat_id: NS00093640
smiles: CNCCC=C1/C2=CC=CC=C2COC2=CC=CC=C12
inchi:
InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10+


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[4-(2-oxopropoxy)phenoxy]-
cas: 67036-85-5
chemspiderid: 93410
dtxsid: DTXSID6070483
formula: C23H17N1O6
inchikey: QKSHXKRSGMVHSN-UHFFFAOYSA-N
norman_susdat_id: NS00036088
pubchem_cid: 105393
smiles: CC(=O)COc1ccc(Oc2c(N)c3c(c(O)c2)C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C23H17NO6/c1-12(25)11-29-13-6-8-14(9-7-13)30-18-10-17(26)19-20(21(18)24)23(28)16-5-3-2-4-15(16)22(19)27/h2-10,26H,11,24H2,1H3


name: Tiprostanide
cas: 67040-53-3
formula: C33H45NO6S
inchikey: DRWKZQHXBXCXEO-ONNUEXRDSA-N
norman_susdat_id: NS00053677
pubchem_cid: 72174
smiles: O=C(OC1=CC=C(C=C1)NC(=O)C=2C=CC=CC2)CCCCCCC3C(=O)CC(O)C3SCC(O)(C)CCCCC
inchi:
InChI=1/C33H45NO6S/c1-3-4-12-21-33(2,39)23-41-31-27(28(35)22-29(31)36)15-10-5-6-11-16-30(37)40-26-19-17-25(18-20-26)34-32(38)24-13-8-7-9-14-24/h7-9,13-14,17-20,27,29,31,36,39H,3-6,10-12,15-16,21-23H2,1-2H3,(H,34,38)


name: Levomepromazine-sulfoxide
cas: 6705-02-8
chemspiderid: 73258
dtxsid: DTXSID90986026
formula: C15H14N2O3
inchikey: SVAAQXJOGYYYEY-UHFFFAOYSA-N
norman_susdat_id: NS00100952
pubchem_cid: 81198
smiles: c1ccc(cc1)NC(=O)COc2ccccc2C(=O)N
inchi:
InChI=1S/C15H14N2O3/c16-15(19)12-8-4-5-9-13(12)20-10-14(18)17-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,19)(H,17,18)


name: Pumiliotoxin A
cas: 67054-00-6
chebiid: CHEBI:176949
dtxsid: DTXSID80897238
formula: C19H33NO2
inchikey: CUBVJLHFQCEJGM-BQAOJKSRSA-N
norman_susdat_id: NS00075538
smiles: CC[C@H](O)C(C)=CCC(C)C=C1/CN2CCCC2[C@@](C)(O)C1
inchi:
InChI=1S/C19H33NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h9,11,14,17-18,21-22H,5-8,10,12-13H2,1-4H3/b15-9+,16-11-/t14?,17-,18?,19-/m0/s1


name: Tributyl[(dimethylthiocarbamoyl)thio]stannane
cas: 67057-32-3
formula: C15H33NS2Sn
inchikey: CXGOYWIFLADZKJ-UHFFFAOYSA-M
norman_susdat_id: NS00053678
pubchem_cid: NA
smiles: S=C(S[Sn](CCCC)(CCCC)CCCC)N(C)C
inchi:
InChI=1/3C4H9.C3H7NS2.Sn/c3*1-3-4-2;1-4(2)3(5)6;/h3*1,3-4H2,2H3;1-2H3,(H,5,6);/q;;;;+1/p-1/rC15H33NS2Sn/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-15(17)16(4)5/h6-14H2,1-5H3


name: 2-Naphthalenol, 1,1'-[[(2-chlorophenyl)methylene]bis[(2,5-dimethyl-4,1-phenylene)azo]]bis-
cas: 6706-75-8
dtxsid: DTXSID6064456
formula: C43H35ClN4O2
inchikey: RJSNDQUKUMPPJN-UHFFFAOYSA-N
norman_susdat_id: NS00046473
pubchem_cid: 81199
inchi:
InChI=1/C43H35ClN4O2/c1-25-23-37(45-47-42-31-13-7-5-11-29(31)17-19-39(42)49)27(3)21-34(25)41(33-15-9-10-16-36(33)44)35-22-28(4)38(24-26(35)2)46-48-43-32-14-8-6-12-30(32)18-20-40(43)50/h5-24,41,49-50H,1-4H3

smiles:
ClC=1C=CC=CC1C(C2=CC(=C(N=NC3=C(O)C=CC=4C=CC=CC43)C=C2C)C)C5=CC(=C(N=NC6=C(O)C=CC=7C=CC=CC76)C=C5C)C


name: Solvent Yellow 29
cas: 6706-82-7
chemspiderid: 5020764
dtxsid: DTXSID50879809
formula: C44H52N4O2
inchikey: OOWDAVSZZOHOJT-ZVUQQYKTSA-N
norman_susdat_id: NS00013491
pubchem_cid: 6537797
smiles: Cc1cc(ccc1NN=C2C=C(C=CC2=O)C3CCCCC3)C4(CCCCC4)c5ccc(NN=C6C=C(C=CC6=O)C7CCCCC7)c(C)c5
inchi:
InChI=1S/C44H52N4O2/c1-30-26-36(18-20-38(30)45-47-40-28-34(16-22-42(40)49)32-12-6-3-7-13-32)44(24-10-5-11-25-44)37-19-21-39(31(2)27-37)46-48-41-29-35(17-23-43(41)50)33-14-8-4-9-15-33/h16-23,26-29,32-33,45-46H,3-15,24-25H2,1-2H3/b47-40+,48-41+


name: Dihydro-3-(2-octadecenyl)furan-2,5-dione
cas: 67066-88-0
dtxsid: DTXSID50858831
formula: C22H38O3
inchikey: KLAIOABSDQUNSA-UHFFFAOYSA-N
norman_susdat_id: NS00053249
pubchem_cid: 106703
smiles: O=C1OC(=O)C(CC=CCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h16-17,20H,2-15,18-19H2,1H3


name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
cas: 67075-37-0
chemspiderid: 95058
dtxsid: DTXSID6070485
formula: C40H26N2O4
inchikey: IIKSFQIOFHBWSO-UHFFFAOYSA-N
norman_susdat_id: NS00006237
pubchem_cid: 105396
smiles: O=c1n(CCc2ccccc2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCc1ccccc1)c5=O
inchi:
InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2


name: Isopropyl 2-propoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
cas: 67078-97-1
dtxsid: DTXSID00986113
formula: C23H31N2O7
inchikey: BJZLZKZOTKFYIS-UHFFFAOYSA-N
norman_susdat_id: NS00053679
pubchem_cid: 3017726
smiles: O=C(OCCOCCC)C1=C(NC(=C(C(=O)OC(C)C)C1C=2C=CC=C(C2)[N+](=O)[O-])C)C
inchi:
InChI=1/C23H30N2O7/c1-6-10-30-11-12-31-22(26)19-15(4)24-16(5)20(23(27)32-14(2)3)21(19)17-8-7-9-18(13-17)25(28)29/h7-9,13-14,21,24H,6,10-12H2,1-5H3


name: 4-(2,6-dichloro-4-nitrophenylazo)-2,5-dimethoxybenzenediazonium chloride
cas: 6709-58-6
formula: C14H11Cl2N5O4
inchikey: VAFJPYKXZLFJND-UHFFFAOYSA-M
norman_susdat_id: NS00047197
pubchem_cid: 21115732
smiles: [Cl-].N#[N+]C1=CC(OC)=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C=C1OC
inchi:
InChI=1/C14H10Cl2N5O4.ClH/c1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16;/h3-6H,1-2H3;1H/q+1;/p-1


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundec-2-ene
cas: 67103-04-2
dtxsid: DTXSID60709981
formula: C11H5F17
inchikey: QPPMZWQUDCDFTM-UHFFFAOYSA-N
norman_susdat_id: NS00110912
smiles: CC=CC(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/C11H5F17/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2-3H,1H3


name: (Perfluorododecyl)ethylene
cas: 67103-05-3
chemspiderid: 2062566
dtxsid: DTXSID20382072
formula: C14H3F25
inchikey: CAAQNKVBCKOIAP-UHFFFAOYSA-N
norman_susdat_id: NS00011088
pubchem_cid: 2782411
smiles: C=CC(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
inchi:
InChI=1S/C14H3F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2


name: Disodium N-(carboxylatomethyl)-N-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl]glycinate
cas: 67107-72-6
dtxsid: DTXSID40986132
formula: C20H38N2O6
inchikey: RQRIMOACIZTFCP-UHFFFAOYSA-L
norman_susdat_id: NS00052914
pubchem_cid: 56843578
smiles: [Na+].[Na+].O=C([O-])CN(CC(=O)[O-])CCN(C(=O)CCCCCCCCCCC)CCO
inchi:
InChI=1/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(14-15-23)13-12-21(16-19(25)26)17-20(27)28;;/h23H,2-17H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2


name: Disodium (Z)-N-(carboxylatomethyl)-N-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl]glycinate
cas: 67107-75-9
dtxsid: DTXSID00986133
formula: C26H48N2O6
inchikey: FHRIKCGRMGOMMT-XXAVUKJNSA-L
norman_susdat_id: NS00052915
pubchem_cid: 56843579
smiles: [Na+].[Na+].O=C([O-])CN(CC(=O)[O-])CCN(C(=O)CCCCCCCC=CCCCCCCCC)CCO
inchi:
InChI=1/C26H48N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(20-21-29)19-18-27(22-25(31)32)23-26(33)34;;/h9-10,29H,2-8,11-23H2,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2


name: Disodium 1,5-dibenzamidoanthracene-9,10-diyl bis(sulphate)
cas: 6711-83-7
dtxsid: DTXSID50890630
formula: C28H20N2O10S2
inchikey: MDKGQPXOGWXWNG-UHFFFAOYSA-L
norman_susdat_id: NS00047192
pubchem_cid: 81209
inchi:
InChI=1/C28H20N2O10S2.2Na/c31-27(17-9-3-1-4-10-17)29-21-15-7-13-19-23(21)25(39-41(33,34)35)20-14-8-16-22(24(20)26(19)40-42(36,37)38)30-28(32)18-11-5-2-6-12-18;;/h1-16H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=CC=2C(OS(=O)(=O)[O-])=C3C(=CC=CC3=C(OS(=O)(=O)[O-])C12)NC(=O)C=4C=CC=CC4)C=5C=CC=CC5


name: 1,5-Dideoxy-1,1,1,5,5,5-hexafluoro-2,4-di-C-fluoro-2,4-bis-O-(heptafluoropropyl)pent-3-ulose
cas: 67118-49-4
dtxsid: DTXSID30628059
formula: C11F22O3
inchikey: NNBQJBPSZUKMBM-UHFFFAOYSA-N
norman_susdat_id: NS00109884
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11F22O3/c12-2(6(18,19)20,35-10(30,31)4(14,15)8(24,25)26)1(34)3(13,7(21,22)23)36-11(32,33)5(16,17)9(27,28)29


name: Potassium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propionate
cas: 67118-57-4
formula: C9HF17O4.K
inchikey: CIGILZLDPNHLAC-UHFFFAOYSA-M
norman_susdat_id: NS00087172
smiles: [K+].[O-]C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C9HF17O4.K/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19;/h(H,27,28);/q;+1/p-1


name: 4-[1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate
cas: 67160-74-1
dtxsid: DTXSID90986187
formula: C23H31NO4
inchikey: QAYOFBVPJIPEAO-UHFFFAOYSA-N
norman_susdat_id: NS00053441
pubchem_cid: 198506
smiles: O=C(OC1=CC=C(C=C1)C(O)C(NC(C)COC=2C=CC=CC2)C)C(C)(C)C
inchi:
InChI=1/C23H31NO4/c1-16(15-27-19-9-7-6-8-10-19)24-17(2)21(25)18-11-13-20(14-12-18)28-22(26)23(3,4)5/h6-14,16-17,21,24-25H,15H2,1-5H3


name: 1H-Pyrazol-5-amine, 4-[(2,4-dinitrophenyl)azo]-3-methyl-1-phenyl-
cas: 67162-11-2
chemspiderid: 7850708
dtxsid: DTXSID1070486
formula: C16H13N7O4
inchikey: FNANWDHJXQWWSM-UHFFFAOYSA-N
norman_susdat_id: NS00020868
pubchem_cid: NA
smiles: CC1=NN(C(=N)/C/1=N/Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])c1ccccc1
inchi:
InChI=1S/C16H13N7O4/c1-10-15(16(17)21(20-10)11-5-3-2-4-6-11)19-18-13-8-7-12(22(24)25)9-14(13)23(26)27/h2-9,17-18H,1H3/b17-16-,19-15+


name: Diclofensine
cas: 67165-56-4
chemspiderid: 62103
formula: C17H17Cl2N1O1
inchikey: ZJDCGVDEEHWEIG-UHFFFAOYSA-N
norman_susdat_id: NS00017671
pubchem_cid: 68871
smiles: CN1CC(C2=C(C1)C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl
inchi:
InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3


cas: 6717-38-0
dtxsid: DTXSID40217438
formula: C42H19Cl2N3O6
inchikey: RIDGJYVMBQRIJX-UHFFFAOYSA-N
norman_susdat_id: NS00047798
pubchem_cid: NA
name:
N-(7,9-dichloro-6,11,14,19,20,21-hexahydro-5,11,14,19,21-pentaoxo-5H-naphtho[2,3-c]naphth[2',3':6,7]indolo[3,2-a]acridin-15-yl)benzamide

inchi:
InChI=1/C42H19Cl2N3O6/c43-18-15-24-33(25(44)16-18)46-36-30(41(24)52)28-21-13-14-23-29(34(21)47-35(28)31-32(36)38(49)20-10-5-4-9-19(20)37(31)48)40(51)22-11-6-12-26(27(22)39(23)50)45-42(53)17-7-2-1-3-8-17/h1-16,47H,(H,45,53)(H,46,52)

smiles:
O=C(NC1=CC=CC=2C(=O)C3=C(C=CC4=C3NC=5C=6C(=O)C=7C=CC=CC7C(=O)C6C=8NC=9C(Cl)=CC(Cl)=CC9C(=O)C8C45)C(=O)C12)C=%10C=CC=CC%10


name: Pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate
cas: 67170-90-5
formula: C7H11O9P.5Na
inchikey: LIQLLUGYBKEWRJ-UHFFFAOYSA-I
norman_susdat_id: NS00086421
smiles: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CCC(CC(=O)[O-])(C(=O)[O-])P(=O)([O-])[O-]
inchi:
InChI=1/C7H11O9P.5Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;;;/q;5*+1/p-5


name: N-(3-hydroxypropyl)stearamide
cas: 67177-07-5
dtxsid: DTXSID80986196
formula: C21H43NO2
inchikey: GTBODJTVLNPEEM-UHFFFAOYSA-N
norman_susdat_id: NS00054219
pubchem_cid: 3017740
smiles: O=C(NCCCO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23/h23H,2-20H2,1H3,(H,22,24)


cas: 67178-60-3
dtxsid: DTXSID40986197
formula: C40H50Cl4N4O3
inchikey: ZCYMCWUCKCGHNC-UHFFFAOYSA-N
norman_susdat_id: NS00053388
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=C(C=C4)C(C)(C)CC)CCCCCCCCCCCC
name:
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-(4-tert-pentylphenoxy)myristamide

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


name: 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
cas: 67193-90-2
dtxsid: DTXSID60895333
formula: C12BrF25
inchikey: XLDCRDVOTVYYPR-UHFFFAOYSA-N
norman_susdat_id: NS00111032
smiles: FC(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)Br
inchi:
InChI=1S/C12BrF25/c13-11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)1(14,15)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38


name: Glycin, N-(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)-
cas: 67227-33-2
chemspiderid: 45056
dtxsid: DTXSID60217551
formula: C12H10I3N3O5
inchikey: JEEBABYLDYQJPC-UHFFFAOYSA-N
norman_susdat_id: NS00040926
pubchem_cid: 49649
smiles: CC(=O)Nc1c(I)c(C(N)=O)c(I)c(C(=O)NCC(O)=O)c1I
inchi:
InChI=1S/C12H10I3N3O5/c1-3(19)18-10-8(14)5(11(16)22)7(13)6(9(10)15)12(23)17-2-4(20)21/h2H2,1H3,(H2,16,22)(H,17,23)(H,18,19)(H,20,21)


name: Glycine, N-(3-methoxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
cas: 67227-36-5
chemspiderid: 45059
dtxsid: DTXSID40217554
formula: C14H14I3N3O6
inchikey: ZUOGOXJIROUOFD-UHFFFAOYSA-N
norman_susdat_id: NS00040917
pubchem_cid: 49652
smiles: CNC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)NCC(O)=O)c1I
inchi:
InChI=1S/C14H14I3N3O6/c1-18-13(24)7-9(15)8(14(25)19-3-6(22)23)11(17)12(10(7)16)20-5(21)4-26-2/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)


name: Fenoldopam
cas: 67227-57-0
chebiid: CHEBI:5002
chemspiderid: 45065
dtxsid: DTXSID0043896
formula: C16H16Cl1N1O3
inchikey: TVURRHSHRRELCG-UHFFFAOYSA-N
norman_susdat_id: NS00014332
pubchem_cid: 3341
smiles: C[S](O)(=O)=O.Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23
inchi:
InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2


name: (Z)-N-(3-aminopropyl)-N'-[3-(9-octadecenylamino)propyl]propane-1,3-diamine
cas: 67228-83-5
formula: C27H58N4
inchikey: XWNMFDCGCAFWHB-KTKRTIGZSA-N
norman_susdat_id: NS00054268
pubchem_cid: 20836174
smiles: NCCCNCCCNCCCNCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H58N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-19-26-31-27-20-25-30-23-18-21-28/h9-10,29-31H,2-8,11-28H2,1H3


name: Perhexiline maleate
cas: 6724-53-4
dtxsid: DTXSID1021114
formula: C23H39NO4
inchikey: JDZOTSLZMQDFLG-BTJKTKAUSA-N
norman_susdat_id: NS00076176
smiles: OC(=O)C=C/C(O)=O.C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
inchi:
InChI=1/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-


name: Dimethyl 4,4'-(1,6-hexanediylbis(iminocarbonyl))bisbenzoate
cas: 6724-91-0
chemspiderid: 73270
dtxsid: DTXSID00217575
formula: C24H28N2O6
inchikey: TYXXDPQEUBEJHA-UHFFFAOYSA-N
norman_susdat_id: NS00036101
pubchem_cid: 81212
smiles: COC(=O)c1ccc(cc1)C(=O)NCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
inchi:
InChI=1S/C24H28N2O6/c1-31-23(29)19-11-7-17(8-12-19)21(27)25-15-5-3-4-6-16-26-22(28)18-9-13-20(14-10-18)24(30)32-2/h7-14H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)


name: N-(2-chloroethyl)-4-fluoro-a-(4-fluorophenyl)benzylamine hydrochloride
cas: 67240-89-5
dtxsid: DTXSID00986411
formula: C15H14ClF2N
inchikey: ONOVBJIUJFBSCI-UHFFFAOYSA-N
norman_susdat_id: NS00052972
pubchem_cid: 3017750
smiles: Cl.FC1=CC=C(C=C1)C(NCCCl)C2=CC=C(F)C=C2
inchi:
InChI=1/C15H14ClF2N.ClH/c16-9-10-19-15(11-1-5-13(17)6-2-11)12-3-7-14(18)8-4-12;/h1-8,15,19H,9-10H2;1H


name: Oxybis(methylethane-1,2-diyl) 3-amino-2-butenoate
cas: 67252-64-6
formula: C22H34N4O9
inchikey: ZOMDCOMLHPVMGT-UHFFFAOYSA-N
norman_susdat_id: NS00052973
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)C=C(N)C)(OC(OC(=O)C=C(N)C)(C)COC(=O)C=C(N)C)C)C=C(N)C
inchi:
InChI=1/C22H34N4O9/c1-13(23)7-17(27)31-11-21(5,33-19(29)9-15(3)25)35-22(6,34-20(30)10-16(4)26)12-32-18(28)8-14(2)24/h7-10H,11-12,23-26H2,1-6H3


name: N-(Chloroacetyl)-L-isoleucine
cas: 67253-30-9
chemspiderid: 284286
dtxsid: DTXSID70217582
formula: C8H14Cl1N1O3
inchikey: HEZNGQNQHGVQLO-FSPLSTOPSA-N
norman_susdat_id: NS00036102
pubchem_cid: 6455439
smiles: CC[C@H](C)[C@H](NC(=O)CCl)C(=O)O
inchi:
InChI=1S/C8H14ClNO3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1


name: trans-4'-cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate
cas: 67284-56-4
dtxsid: DTXSID00886821
formula: C22H23NO2
inchikey: OYZITXKNUGHHKV-UHFFFAOYSA-N
norman_susdat_id: NS00052974
pubchem_cid: 171826
smiles: N#CC=1C=CC(=CC1)C2=CC=C(OC(=O)C3CCC(CC)CC3)C=C2
inchi:
InChI=1/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3


name: 6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine
cas: 67287-53-0
dtxsid: DTXSID80986479
formula: C19H22ClNO3
inchikey: MYTZRTXHMVXREA-UHFFFAOYSA-N
norman_susdat_id: NS00053488
pubchem_cid: 6455448
smiles: ClC=1C(OC)=C(OC)C=C2C1CCNCC2C3=CC=C(OC)C=C3
inchi:
InChI=1/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3


name: 6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(4-hydroxyphenyl)-1H-3-benzazepinium bromide
cas: 67287-54-1
formula: C16H16ClNO3.BrH
inchikey: DSGOSRLTVBPLCU-UHFFFAOYSA-N
norman_susdat_id: NS00086511
smiles: [Br-].Oc1ccc(cc1)C2C[NH2+]CCc3c(Cl)c(O)c(O)cc23
inchi:
InChI=1/C16H16ClNO3.BrH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H


name: Distearyl 3,3'-dithiopropionate
cas: 6729-96-0
chemspiderid: 73274
dtxsid: DTXSID0064462
formula: C42H82O4S2
inchikey: XPNWIWHUGHAVLC-UHFFFAOYSA-N
norman_susdat_id: NS00036107
pubchem_cid: 81216
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H82O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-48-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3


name: Morphine-d3
cas: 67293-88-3
chemspiderid: 5288636
dtxsid: DTXSID00217656
formula: C17H19NO3
inchikey: BQJCRHHNABKAKU-LLQNGXJRSA-N
norman_susdat_id: NS00101030
pubchem_cid: 6912286
smiles: [2H]C([2H])([2H])N2CC[C@@]51c3c4O[C@H]1[C@@H](O)C=C/[C@H]5[C@H]2Cc3ccc4O
inchi:
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1/i1D3


name: Benzyl(3-chloro-2-hydroxypropyl)dimethylammonium chloride
cas: 67304-25-0
dtxsid: DTXSID20886823
formula: C12H19ClNO
inchikey: AAZVLNHLLNLZEE-UHFFFAOYSA-M
norman_susdat_id: NS00053490
pubchem_cid: 106706
smiles: [Cl-].ClCC(O)C[N+](C)(C)CC=1C=CC=CC1
inchi:
InChI=1/C12H19ClNO.ClH/c1-14(2,10-12(15)8-13)9-11-6-4-3-5-7-11;/h3-7,12,15H,8-10H2,1-2H3;1H/q+1;/p-1


name: Fenpropidin
cas: 67306-00-7
chebiid: CHEBI:83291
chemspiderid: 82797
dtxsid: DTXSID9058157
formula: C19H31N1
inchikey: MGNFYQILYYYUBS-UHFFFAOYSA-N
norman_susdat_id: NS00000452
pubchem_cid: 91694
smiles: c1cc(ccc1CC(CN2CCCCC2)C)C(C)(C)C
inchi:
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3


name: Cholest-5-en-3ß-yl hydrogen phthalate
cas: 6732-01-0
formula: C35H50O4
inchikey: DNRPYEJJPBQNQB-MMFRCHASSA-N
norman_susdat_id: NS00047266
pubchem_cid: 111235
smiles: O=C(O)C=1C=CC=CC1C(=O)OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCCC(C)C)C3(C)CC2
inchi:
InChI=1/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)


name: 2-[[4-[(2,3-dimethoxypropyl)ethylamino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 67326-79-8
dtxsid: DTXSID80886824
formula: C22H29N4O3S
inchikey: MRPABYXFRYAUII-UHFFFAOYSA-M
norman_susdat_id: NS00054270
pubchem_cid: 105409
smiles: [Cl-].N(=NC=1SC=2C=C(OC)C=CC2[N+]1C)C3=CC=C(C=C3)N(CC)CC(OC)COC
inchi:
InChI=1/C22H29N4O3S.ClH/c1-6-26(14-19(29-5)15-27-3)17-9-7-16(8-10-17)23-24-22-25(2)20-12-11-18(28-4)13-21(20)30-22;/h7-13,19H,6,14-15H2,1-5H3;1H/q+1;/p-1


name: Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, butyl ester
cas: 67330-25-0
chebiid: CHEBI:32276
chemspiderid: 5430
formula: C18H18F3N1O2
inchikey: JDLSRXWHEBFHNC-UHFFFAOYSA-N
norman_susdat_id: NS00007942
pubchem_cid: 5632
smiles: CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
inchi:
InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3


cas: 67332-90-5
formula: C20H14Cl2N4O7S2
inchikey: VCGAKRQDKWIYGA-UHFFFAOYSA-N
norman_susdat_id: NS00053435
pubchem_cid: 111976
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)O)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)O
name:
2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid

inchi:
InChI=1/C20H14Cl2N4O7S2/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33)


name: Acetamide, N-[3-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]-
cas: 67338-58-3
chemspiderid: 95069
dtxsid: DTXSID5070490
formula: C16H26N2O3
inchikey: BKGDSUKTWCDLGU-UHFFFAOYSA-N
norman_susdat_id: NS00036110
pubchem_cid: 105413
smiles: CCOCCOCCN(CC)c1cc(NC(=O)C)ccc1
inchi:
InChI=1S/C16H26N2O3/c1-4-18(9-10-21-12-11-20-5-2)16-8-6-7-15(13-16)17-14(3)19/h6-8,13H,4-5,9-12H2,1-3H3,(H,17,19)


name: 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamide
cas: 67338-59-4
dtxsid: DTXSID00867271
formula: C16H20N3O5S
inchikey: SIFKXZAVMBSRMB-UHFFFAOYSA-N
norman_susdat_id: NS00053491
pubchem_cid: 105414
smiles: O=[N+]([O-])C1=CC(=CC=C1NC2=CC=C(OCC)C=C2)S(=O)(=O)N(C)C
inchi:
InChI=1/C16H19N3O5S/c1-4-24-13-7-5-12(6-8-13)17-15-10-9-14(11-16(15)19(20)21)25(22,23)18(2)3/h5-11,17H,4H2,1-3H3


name: N-[5-[Ethyl(phenylmethyl)amino]-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]phenyl]acetamide
cas: 67338-62-9
chemspiderid: 95073
dtxsid: DTXSID4052348
formula: C21H24N6O1S2
inchikey: XGPMVIYCGUOGIO-UHFFFAOYSA-N
norman_susdat_id: NS00036112
pubchem_cid: 105417
smiles: CCSc1nnc(s1)N=Nc1c(NC(=O)C)cc(cc1)N(CC)Cc1ccccc1
inchi:
InChI=1S/C21H24N6OS2/c1-4-27(14-16-9-7-6-8-10-16)17-11-12-18(19(13-17)22-15(3)28)23-24-20-25-26-21(30-20)29-5-2/h6-13H,4-5,14H2,1-3H3,(H,22,28)/b24-23+


name: Methylumbelliferyl-beta-D-xyloside
cas: 6734-33-4
chemspiderid: 83266
dtxsid: DTXSID10217687
formula: C15H16O7
inchikey: JWIYLOHVJDJZOQ-KAOXEZKKSA-N
norman_susdat_id: NS00036114
pubchem_cid: 92229
smiles: Cc1cc(=O)oc2c1ccc(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)c2
inchi:
InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15+/m1/s1


name: 2,2'-Dithiobis(4-chloro-N-((1-methyl-4-piperidyl)methyl)benzamide)
cas: 67342-59-0
chemspiderid: 4957724
dtxsid: DTXSID60217692
formula: C28H36Cl2N4O2S2
inchikey: SCVDJMXAAVCHHF-UHFFFAOYSA-N
norman_susdat_id: NS00036113
pubchem_cid: 6455460
smiles: CN1CCC(CNC(=O)c2ccc(Cl)cc2SSc2cc(Cl)ccc2C(=O)NCC2CCN(C)CC2)CC1
inchi:
InChI=1S/C28H36Cl2N4O2S2/c1-33-11-7-19(8-12-33)17-31-27(35)23-5-3-21(29)15-25(23)37-38-26-16-22(30)4-6-24(26)28(36)32-18-20-9-13-34(2)14-10-20/h3-6,15-16,19-20H,7-14,17-18H2,1-2H3,(H,31,35)(H,32,36)


name: Calcium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate
cas: 67355-35-5
formula: C17H14N4O6S.Ca
inchikey: OJGJBDRWZSAKHF-UHFFFAOYSA-L
norman_susdat_id: NS00086239
smiles: [Ca+2].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O
inchi:
InChI=1/C17H14N4O6S.Ca/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: 1-acetyl-N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
cas: 67356-94-9
dtxsid: DTXSID40986617
formula: C14H17N3O
inchikey: WGCQZEQXKNFPJL-UHFFFAOYSA-N
norman_susdat_id: NS00053023
pubchem_cid: 3017758
smiles: O=C(N1C(=NCC1)NC2=CC=CC3=C2CCC3)C
inchi:
InChI=1/C14H17N3O/c1-10(18)17-9-8-15-14(17)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,16)


name: 3-Deazaadenosine
cas: 6736-58-9
dtxsid: DTXSID2040941
formula: C11H14N4O4
inchikey: DBZQFUNLCALWDY-PNHWDRBUSA-N
norman_susdat_id: NS00071576
pubchem_cid: 23190
smiles: Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1


cas: 6736-85-2
dtxsid: DTXSID30986621
formula: C22H26O12
inchikey: UXSACQOOWZMGSE-UHFFFAOYSA-N
norman_susdat_id: NS00046512
pubchem_cid: 232494
smiles: O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C5=CC=C(O)C=C5
name:
1a(S)a,1bß,2ß,5aß,6ß,6aa-hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl ß-D-glucopyranoside

inchi:
InChI=1/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2


name: Dicyclohexylammonium 3-[3-(acetylthio)-2-methylpropionyl]thiazolidine-4-carboxylate
cas: 67362-28-1
dtxsid: DTXSID50986643
formula: C10H15NO4S2
inchikey: XGZWTNNVXGQEAT-UHFFFAOYSA-N
norman_susdat_id: NS00053476
pubchem_cid: 6455463
smiles: O=C(SCC(C(=O)N1CSCC1C(=O)[O-])C)C.C1CCC(CC1)[NH2+]C2CCCCC2
inchi:
InChI=1/C12H23N.C10H15NO4S2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(3-17-7(2)12)9(13)11-5-16-4-8(11)10(14)15/h11-13H,1-10H2;6,8H,3-5H2,1-2H3,(H,14,15)


name: Phosphine, 1,3-propanediylbis[diphenyl-
cas: 6737-42-4
chemspiderid: 73276
dtxsid: DTXSID0064464
formula: C27H26P2
inchikey: LVEYOSJUKRVCCF-UHFFFAOYSA-N
norman_susdat_id: NS00036118
pubchem_cid: 81219
smiles: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2


name: Solvent Blue 101
cas: 6737-68-4
chemspiderid: 56376
dtxsid: DTXSID9052349
formula: C28H22N2O2
inchikey: MDHNYDFMILOOSE-UHFFFAOYNA-N
norman_susdat_id: NS00020869
pubchem_cid: NA
smiles: Cc1ccccc1Nc1ccc(Nc2ccccc2C)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3


name: Vanilloylzygadenine
cas: 67370-01-8
chemspiderid: 49830
formula: C35H49NO10
inchikey: NIEIJAOPLMFSMK-OYYCYGOVSA-N
norman_susdat_id: NS00094261
pubchem_cid: 21247445
smiles:
C[C@H]1CC[C@H]2[C@@](C3[C@H]([C@@H]([C@]4(C5CCC6[C@]7([C@@]5(CC4C3CN2C1)O[C@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)O)OC)O)C)O)O)O)(C)O


name: alpha-Cypermethrin
cas: 67375-30-8
chebiid: CHEBI:39335
chemspiderid: 2809
dtxsid: DTXSID7041201
formula: C22H19Cl2NO3
inchikey: KAATUXNTWXVJKI-WSTZPKSXSA-N
norman_susdat_id: NS00098482
pubchem_cid: 2912
smiles: CC1(C(C1C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C
inchi:
InChI String: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/s2


name: AC1L1BIE
cas: 67376-99-2
chemspiderid: 10050761
dtxsid: DTXSID40274309
formula: C22H33N1O4
inchikey: VUVNLXFEGKNTAK-UHFFFAOYSA-N
norman_susdat_id: NS00040578
pubchem_cid: 11876433
smiles: CC1(O)CCC2C3CCC4=CC(CCC4(C)C3CCC12C)=NOCC(O)=O
inchi:
InChI=1S/C22H33NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h12,16-18,26H,4-11,13H2,1-3H3,(H,24,25)


name: 4,4'-(1-Methyldecylidene)bisphenol
cas: 67380-31-8
chemspiderid: 4957728
dtxsid: DTXSID30217740
formula: C23H32O2
inchikey: LKOGRXMNXYBFBF-UHFFFAOYSA-N
norman_susdat_id: NS00036120
pubchem_cid: 6455464
smiles: CCCCCCCCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C23H32O2/c1-3-4-5-6-7-8-9-18-23(2,19-10-14-21(24)15-11-19)20-12-16-22(25)17-13-20/h10-17,24-25H,3-9,18H2,1-2H3


name: 9,10-bis(allyloxy)-4,4-diethoxy-3,8,11-trioxa-4-silatetradec-13-ene
cas: 67380-44-3
dtxsid: DTXSID70986660
formula: C20H38O7Si
inchikey: OJYVSVFMSBTURN-UHFFFAOYSA-N
norman_susdat_id: NS00053477
pubchem_cid: 6455465
smiles: O(CC=C)C(OCC=C)C(OCC=C)OCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C20H38O7Si/c1-7-14-21-19(22-15-8-2)20(23-16-9-3)24-17-13-18-28(25-10-4,26-11-5)27-12-6/h7-9,19-20H,1-3,10-18H2,4-6H3


name: O-Desmethylsulpiride
cas: 67381-52-6
chemspiderid: 27523917
formula: C14H21N3O4S
inchikey: NFLGNXQFVLJJEM-UHFFFAOYSA-N
norman_susdat_id: NS00100980
smiles: CCN1CCCC1CNC(=O)c2cc(ccc2O)S(=O)(=O)N
inchi:
InChI=1S/C14H21N3O4S/c1-2-17-7-3-4-10(17)9-16-14(19)12-8-11(22(15,20)21)5-6-13(12)18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,19)(H2,15,20,21)


name: 6-diazo-5,6-dihydro-N-(4-hydroxyphenyl)-5-oxonaphthalene-1-sulphonamide
cas: 67389-43-9
dtxsid: DTXSID50886831
formula: C16H12N3O4S
inchikey: CLQRJOHDDQIGSU-UHFFFAOYSA-N
norman_susdat_id: NS00054320
pubchem_cid: 135602173
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)NC3=CC=C(O)C=C3)C1=O
inchi:
InChI=1/C16H11N3O4S/c17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)24(22,23)19-10-4-6-11(20)7-5-10/h1-9,19-20H


cas: 6739-48-6
formula: C30H26N9O8S2
inchikey: QFIKUDGWSLWELW-UHFFFAOYSA-L
norman_susdat_id: NS00047846
pubchem_cid: 11970341
name:
Disodium 3-[[4-[[4-[(2,4-diamino-5-nitrophenyl)azo]-m-tolyl]azo]-o-tolyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C30H25N9O8S2.2Na/c1-16-10-18(33-34-19-7-9-26(17(2)11-19)37-38-27-15-28(39(40)41)24(32)14-23(27)31)6-8-25(16)36-35-20-12-22-21(30(13-20)49(45,46)47)4-3-5-29(22)48(42,43)44;;/h3-15H,31-32H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC(N=NC2=CC=C(N=NC3=CC=C(N=NC=4C=C5C(C=CC=C5S(=O)(=O)[O-])=C(C4)S(=O)(=O)[O-])C(=C3)C)C=C2C)=C(N)C=C1N


cas: 6739-62-4
dtxsid: DTXSID0064466
formula: C38H29N8O13S
inchikey: QVYIFFPJPCUTHF-UHFFFAOYSA-K
norman_susdat_id: NS00047858
pubchem_cid: NA
name:
Trisodium 2-[[2-amino-6-[[4'-[(3-carboxylato-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate

inchi:
InChI=1/C38H28N8O13S.3Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;;;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2OC)C3=CC=C(N=NC=4C(O)=C5C=CC(N)=C(N=NC6=CC=C(C=C6C(=O)[O-])[N+](=O)[O-])C5=CC4S(=O)(=O)[O-])C(OC)=C3)=CC=C1O


name: Drospirenone
cas: 67392-87-4
chebiid: CHEBI:50838
chemspiderid: 62105
dtxsid: DTXSID7046465
formula: C24H30O3
inchikey: METQSPRSQINEEU-HXCATZOESA-N
norman_susdat_id: NS00002775
pubchem_cid: 68873
smiles: C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
inchi:
InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1


cas: 67400-78-6
formula: C15H9Cl2N7O7S
inchikey: KJCIQZZNSPHHFT-UHFFFAOYSA-N
norman_susdat_id: NS00053024
pubchem_cid: 135570870
smiles: O=C(O)C=1C=C(O)NC(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(Cl)N3
name:
3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-1,2-dihydro-6-hydroxy-2-oxoisonicotinic acid

inchi:
InChI=1/C15H9Cl2N7O7S/c16-13-20-14(17)22-15(21-13)18-5-1-2-8(32(29,30)31)7(3-5)23-24-10-6(12(27)28)4-9(25)19-11(10)26/h1-4H,(H,27,28)(H2,19,25,26)(H,29,30,31)(H,18,20,21,22)


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(phenylsulphonyl)amino]anthracene-2-sulphonate
cas: 67401-67-6
dtxsid: DTXSID70986680
formula: C20H14N2O7S2
inchikey: VNOXSLPRRHHXFL-UHFFFAOYSA-M
norman_susdat_id: NS00053536
pubchem_cid: 3017764
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NS(=O)(=O)C=4C=CC=CC4)=C13)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.Na/c21-18-15(31(27,28)29)10-14(22-30(25,26)11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,27,28,29);/q;+1/p-1


name: Inosine 2',3',5'-tribenzoate
cas: 6741-88-4
dtxsid: DTXSID10986684
formula: C31H24N4O8
inchikey: HYIROYSRWYWYBO-ZYWWQZICSA-N
norman_susdat_id: NS00047241
pubchem_cid: NA
smiles: O=C(OCC1OC(N2C=NC=3C(O)=NC=NC32)C(OC(=O)C=4C=CC=CC4)C1OC(=O)C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C31H24N4O8/c36-27-23-26(32-17-33-27)35(18-34-23)28-25(43-31(39)21-14-8-3-9-15-21)24(42-30(38)20-12-6-2-7-13-20)22(41-28)16-40-29(37)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,28H,16H2,(H,32,33,36)


name: 3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxahentetracontane-1,41-diol
cas: 67411-64-7
chebiid: CHEBI:44791
chemspiderid: 571172
dtxsid: DTXSID90217766
formula: C28H58O15
inchikey: ILLKMACMBHTSHP-UHFFFAOYSA-N
norman_susdat_id: NS00001008
pubchem_cid: 656926
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2


name: 3-Acetyl-11-keto-β-boswellic acid
cas: 67416-61-9
chemspiderid: 5293329
formula: C32H48O5
inchikey: HMMGKOVEOFBCAU-XUEZKKGGSA-N
norman_susdat_id: NS00018016
pubchem_cid: 6918115
smiles: CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
inchi:
InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25?,26?,28-,29+,30-,31-,32-/m1/s1


name: Formycin
cas: 6742-12-7
chebiid: CHEBI:42452
dtxsid: DTXSID20863937
formula: C10H13N5O4
inchikey: KBHMEHLJSZMEMI-KSYZLYKTSA-N
norman_susdat_id: NS00071581
pubchem_cid: 447199
smiles: Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12
inchi:
InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1


name: Aclovate
cas: 67452-97-5
chebiid: CHEBI:53776
dtxsid: DTXSID60867277
formula: C22H29ClO5
inchikey: FJXOGVLKCZQRDN-PHCHRAKRSA-N
norman_susdat_id: NS00071906
pubchem_cid: 5311000
smiles: C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl
inchi:
InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1


cas: 67461-03-4
formula: C37H29N9O13S3
inchikey: BKYJOYYNEXOICV-UHFFFAOYSA-K
norman_susdat_id: NS00053561
pubchem_cid: NA
name:
Trisodium 3-[[4-[[[4-[[2-(acetylamino)-4-hydroxyphenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-4-amino-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C37H29N9O13S3.3Na/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53;;;/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(O)C=C2NC(=O)C)C=C1)C3=CC=C(N=NC=4C(N)=C5C(C=C(C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])=C5O)S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])C=C3


name: Vanoxerine
cas: 67469-78-7
chebiid: CHEBI:64089
dtxsid: DTXSID8045143
formula: C28H32F2N2O
inchikey: NAUWTFJOPJWYOT-UHFFFAOYSA-N
norman_susdat_id: NS00071657
pubchem_cid: 3455
smiles: Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
inchi:
InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2


name: methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
cas: 674773-13-8
chemspiderid: 9691625
formula: C16H18N2O8S1
inchikey: AYCCQDIBOMUCEW-UHFFFAOYSA-N
norman_susdat_id: NS00004915
pubchem_cid: 11516837
smiles: COC(=O)CN(CC(=O)OC)c1sc(C(=O)OC)c(CC(=O)OC)c1C#N
inchi:
InChI=1S/C16H18N2O8S/c1-23-11(19)5-9-10(6-17)15(27-14(9)16(22)26-4)18(7-12(20)24-2)8-13(21)25-3/h5,7-8H2,1-4H3


cas: 674786-75-5
dtxsid: DTXSID10371374
formula: C20H17F17O6
inchikey: ZXPKQENNVJKVQL-UHFFFAOYSA-N
norman_susdat_id: NS00109144
smiles: CCOC(=O)CC1(CC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O)C(=O)OCC
name:
Ethyl 3-(2-ethoxy-2-oxoethyl)-5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2-oxooxolane-3-carboxylate

inchi:
InChI=1S/C20H17F17O6/c1-3-41-9(38)7-12(10(39)42-4-2)5-8(43-11(12)40)6-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h8H,3-7H2,1-2H3


name: 1-[N-[N-(2-aminobenzoyl)glycyl]-4-nitro-L-phenylalanyl]-L-proline
cas: 67482-93-3
dtxsid: DTXSID30986863
formula: C23H26N5O7
inchikey: ZCZHTWBKBLMIQM-OALUTQOASA-N
norman_susdat_id: NS00053562
pubchem_cid: 128860
smiles: O=C(O)C1N(C(=O)C(NC(=O)CNC(=O)C=2C=CC=CC2N)CC3=CC=C(C=C3)[N+](=O)[O-])CCC1
inchi:
InChI=1/C23H25N5O7/c24-17-5-2-1-4-16(17)21(30)25-13-20(29)26-18(12-14-7-9-15(10-8-14)28(34)35)22(31)27-11-3-6-19(27)23(32)33/h1-2,4-5,7-10,18-19H,3,6,11-13,24H2,(H,25,30)(H,26,29)(H,32,33)


name: Hydramethylnon
cas: 67485-29-4
chebiid: CHEBI:38531
chemspiderid: 4445168
dtxsid: DTXSID6023868
formula: C25H24F6N4
inchikey: IQVNEKKDSLOHHK-FNCQTZNRSA-N
norman_susdat_id: NS00000154
pubchem_cid: 5281875
smiles: CC1(CNC(=NN=C(/C=C/C2=CC=C(C=C2)C(F)(F)F)/C=C/C3=CC=C(C=C3)C(F)(F)F)NC1)C
inchi:
InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+


name: 9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)xanthylium chloride
cas: 6749-36-6
dtxsid: DTXSID00986870
formula: C25H22N3O3S
inchikey: FVHXZPGGLFJWSJ-UHFFFAOYSA-M
norman_susdat_id: NS00047242
pubchem_cid: 585974
smiles: [Cl-].O=C(O)C=1C=C(N=C=S)C=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(C)C)N(C)C
inchi:
InChI=1/C25H21N3O3S.ClH/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)18-8-5-15(26-14-32)11-21(18)25(29)30;/h5-13H,1-4H3;1H


name: 16a-ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-laurate
cas: 67490-00-0
dtxsid: DTXSID60986871
formula: C34H54O4
inchikey: JOOLBCGLEHQEHM-LKOKKDIWSA-N
norman_susdat_id: NS00053506
pubchem_cid: 128863
smiles: O=C(OCC(=O)C1C(CC)CC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCCC
inchi:
InChI=1/C34H54O4/c1-4-6-7-8-9-10-11-12-13-14-32(37)38-23-31(36)33-24(5-2)22-30-29-17-15-25-21-26(35)16-18-27(25)28(29)19-20-34(30,33)3/h21,24,27-30,33H,4-20,22-23H2,1-3H3


name: 2,4,4-trimethyl-2-phosphonoadipic acid
cas: 67492-83-5
dtxsid: DTXSID00986875
formula: C9H17O7P
inchikey: XDYZFFJMIHMPAG-UHFFFAOYSA-N
norman_susdat_id: NS00054362
pubchem_cid: 3017766
smiles: O=C(O)CC(C)(C)CC(C(=O)O)(C)P(=O)(O)O
inchi:
InChI=1/C9H17O7P/c1-8(2,4-6(10)11)5-9(3,7(12)13)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)


name: 2,2,4-trimethyl-4-phosphonoadipic acid
cas: 67492-84-6
dtxsid: DTXSID60986876
formula: C9H17O7P
inchikey: NRKRINAWCRQMBX-UHFFFAOYSA-N
norman_susdat_id: NS00054363
pubchem_cid: 3017767
smiles: O=C(O)CC(C)(CC(C(=O)O)(C)C)P(=O)(O)O
inchi:
InChI=1/C9H17O7P/c1-8(2,7(12)13)5-9(3,4-6(10)11)17(14,15)16/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H2,14,15,16)


name: Fluorodiisobutylaluminium
cas: 675-15-0
formula: C8H18AlF
inchikey: SJBIACKVFNCVOM-UHFFFAOYSA-M
norman_susdat_id: NS00079780
smiles: CC(C)C[Al](F)CC(C)C
inchi:
InChI=1/2C4H9.Al.FH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1/rC8H18AlF/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3


cas: 6750-60-3
dtxsid: DTXSID00881210
formula: C15H24O
inchikey: FRMCCTDTYSRUBE-ARUSPNSKSA-N
norman_susdat_id: NS00096332
smiles: CC1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@H]12
name:
1h-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]-

inchi:
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12-,13+,15-/m0/s1


name: Dasotraline
cas: 675126-07-5
dtxsid: DTXSID20217855
formula: C16H15Cl2N
inchikey: SRPXSILJHWNFMK-MEDUHNTESA-N
norman_susdat_id: NS00069019
pubchem_cid: 9947999
smiles: N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
inchi:
InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1


name: 1,4-bis[4-(trifluoromethyl)phenoxy]benzene
cas: 67525-36-4
dtxsid: DTXSID10986907
formula: C20H12F6O2
inchikey: DBEALIZXNCCVBG-UHFFFAOYSA-N
norman_susdat_id: NS00056594
pubchem_cid: 3017770
smiles: FC(F)(F)C1=CC=C(OC2=CC=C(OC3=CC=C(C=C3)C(F)(F)F)C=C2)C=C1
inchi:
InChI=1/C20H12F6O2/c21-19(22,23)13-1-5-15(6-2-13)27-17-9-11-18(12-10-17)28-16-7-3-14(4-8-16)20(24,25)26/h1-12H


cas: 6753-47-5
formula: C9H21NO3.C6H3Cl3N2O2
inchikey: XQVYHLBQRMKACP-UHFFFAOYSA-N
norman_susdat_id: NS00082052
smiles: CC(O)CN(CC(C)O)CC(C)O.Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl
name:
4-amino-3,5,6-trichloropyridine-2-carboxylic acid, compound with 1,1',1''-nitrilotripropan-2-ol (1:1)

inchi:
InChI=1/C9H21NO3.C6H3Cl3N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7-9,11-13H,4-6H2,1-3H3;(H2,10,11)(H,12,13)


name: alpha-Humalene
cas: 6753-98-6
chebiid: CHEBI:5768
chemspiderid: 4444853
dtxsid: DTXSID30858793
formula: C15H24
inchikey: FAMPSKZZVDUYOS-HRGUGZIWSA-N
norman_susdat_id: NS00020870
pubchem_cid: 5281520
smiles: C/C/1=CCC(C)(C)/C=C/C/C(=C/CC1)/C
inchi:
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10-


name: Helenalin
cas: 6754-13-8
chebiid: CHEBI:5635
chemspiderid: 21713
dtxsid: DTXSID50217868
formula: C15H18O4
inchikey: ZVLOPMNVFLSSAA-XEPQRQSNSA-N
norman_susdat_id: NS00094722
pubchem_cid: 23205
smiles: C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
inchi:
InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1


name: Polygodial
cas: 6754-20-7
chebiid: CHEBI:8305
chemspiderid: 65414
formula: C15H22O2
inchikey: AZJUJOFIHHNCSV-KCQAQPDRSA-N
norman_susdat_id: NS00018039
pubchem_cid: 72503
smiles: CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C
inchi:
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1


name: Xanthohumol
cas: 6754-58-1
chebiid: CHEBI:66331
chemspiderid: 555077
dtxsid: DTXSID00893171
formula: C21H22O5
inchikey: ORXQGKIUCDPEAJ-YRNVUSSQSA-N
norman_susdat_id: NS00018015
pubchem_cid: 639665
smiles: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C
inchi:
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+


name: Testosterone sulfate
cas: 67543-14-0
chebiid: CHEBI:84094
formula: C19H28O5S
inchikey: WAQBISPOEAOCOG-DYKIIFRCSA-N
norman_susdat_id: NS00096950
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@]34C
inchi:
InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1


name: Fenpropimorph
cas: 67564-91-4
chebiid: CHEBI:50145
chemspiderid: 84290
dtxsid: DTXSID4034601
formula: C20H33NO
inchikey: RYAUSSKQMZRMAI-ALOPSCKCSA-N
norman_susdat_id: NS00066814
pubchem_cid: 93365
smiles: CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C
eea_notation: CAS_67564-91-4
inchi:
InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+


name: N-(4-nitrobenzoyl)-L-glutamic acid hemihydrate
cas: 6758-40-3
formula: C12H12N2O7
inchikey: NOJZBJAFCSWMKC-UHFFFAOYSA-N
norman_susdat_id: NS00046532
pubchem_cid: 95525
smiles: O=C(O)CCC(NC(=O)C1=CC=C(C=C1)N(=O)=O)C(=O)O
inchi:
InChI=1/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)


name: Sodium 9,10-dimethoxyanthracene-2-sulphonate
cas: 67580-39-6
dtxsid: DTXSID90986940
formula: C16H14O5S
inchikey: CBGQZXMEEWCJQD-UHFFFAOYSA-M
norman_susdat_id: NS00055845
pubchem_cid: 162673
smiles: [Na+].O=S(=O)([O-])C=1C=CC2=C(OC)C=3C=CC=CC3C(OC)=C2C1
inchi:
InChI=1/C16H14O5S.Na/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;/h3-9H,1-2H3,(H,17,18,19);/q;+1/p-1


name: Potassium [(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
cas: 67584-31-0
formula: C13H15NO4.K
inchikey: KBWPWSNLLTZFMR-UHFFFAOYSA-M
norman_susdat_id: NS00088437
smiles: [K+].COC(=O)C=C(C)NC(C([O-])=O)c1ccccc1
inchi:
InChI=1/C13H15NO4.K/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/q;+1/p-1


name: Cyclohexanesulfonic acid, decafluoro(pentafluoroethyl)-, potassium salt (TSCA, DSL, AICS)
cas: 67584-42-3
chemspiderid: 143192
formula: C8H1F15O3S1
inchikey: AGFWEBMALSMQMX-UHFFFAOYSA-N
norman_susdat_id: NS00011420
pubchem_cid: 163145
smiles: [K+].C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)[O-])C(C(F)(F)F)(F)F
inchi:
InChI=1S/C8HF15O3S.K/c9-2(10)1(27(24,25)26,4(13,14)8(21,22)23)3(11,12)6(17,18)7(19,20)5(2,15)16;/h(H,24,25,26);/q;+1/p-1


name: 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-2-propenyl-
cas: 67584-48-9
chemspiderid: 95088
dtxsid: DTXSID2070500
formula: C9H6F13N1O2S1
inchikey: OEYYQKXFSDVKJI-UHFFFAOYSA-N
norman_susdat_id: NS00011245
pubchem_cid: 105437
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=C
inchi:
InChI=1S/C9H6F13NO2S/c1-2-3-23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2


name: 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-2-propenyl-
cas: 67584-49-0
chemspiderid: 95089
dtxsid: DTXSID7070501
formula: C10H6F15N1O2S1
inchikey: BWDDXILIAIZLEX-UHFFFAOYSA-N
norman_susdat_id: NS00011250
pubchem_cid: 105438
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=C
inchi:
InChI=1S/C10H6F15NO2S/c1-2-3-26-29(27,28)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h2,26H,1,3H2


cas: 67584-50-3
dtxsid: DTXSID2070502
formula: C12H11Cl3F15NO2SSi
inchikey: FGUIJRKFZDKNCE-UHFFFAOYSA-N
norman_susdat_id: NS00055846
pubchem_cid: 105439
smiles: O=S(=O)(N(CC)CCC[Si](Cl)(Cl)Cl)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-(trichlorosilyl)propyl]heptane-1-sulphonamide

inchi:
InChI=1/C12H11Cl3F15NO2SSi/c1-2-31(4-3-5-35(13,14)15)34(32,33)12(29,30)10(24,25)8(20,21)6(16,17)7(18,19)9(22,23)11(26,27)28/h2-5H2,1H3


name: Potassium N-ethyl-N-[(nonafluorobutyl)sulphonyl]glycinate
cas: 67584-51-4
formula: C8H8F9NO4S.K
inchikey: IOVJPAWFAJXXKU-UHFFFAOYSA-M
norman_susdat_id: NS00087809
smiles: [K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8H8F9NO4S.K/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: Potassium N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate
cas: 67584-52-5
formula: C9H8F11NO4S.K
inchikey: VJZIVFKBUDETNE-UHFFFAOYSA-M
norman_susdat_id: NS00088021
smiles: [K+].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.K/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: Potassium N-ethyl-N-[(tridecafluorohexyl)sulphonyl]glycinate
cas: 67584-53-6
formula: C10H8F13NO4S.K
inchikey: GHBVIRCBEGOCEH-UHFFFAOYSA-M
norman_susdat_id: NS00088022
smiles: [K+].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.K/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: Perfluoroheptane sulfonamido amine
cas: 67584-54-7
chemspiderid: 95097
dtxsid: DTXSID2070506
formula: C12H13F15N2O2S1
inchikey: RFJQYRXZGNILIY-UHFFFAOYSA-N
norman_susdat_id: NS00011254
pubchem_cid: 105446
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)CCN(C)C
inchi:
InChI=1S/C12H13F15N2O2S/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h28H,3-5H2,1-2H3


name: 2-Propenoic acid, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester
cas: 67584-55-8
chemspiderid: 95098
dtxsid: DTXSID7070507
formula: C10H10F9N1O4S1
inchikey: KEMCLRGAIUJRAN-UHFFFAOYSA-N
norman_susdat_id: NS00008717
pubchem_cid: 105447
smiles: CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3


name: 2-Propenoic acid, 2-[methyl[(undecafluoropentyl)sulfonyl]amino]ethyl ester
cas: 67584-56-9
chemspiderid: 95099
dtxsid: DTXSID2070508
formula: C11H10F11N1O4S1
inchikey: FZWFDJBZTLTRGH-UHFFFAOYSA-N
norman_susdat_id: NS00009647
pubchem_cid: 105448
smiles: CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F11NO4S/c1-3-6(24)27-5-4-23(2)28(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h3H,1,4-5H2,2H3


name: 2-Propenoic acid, 2-[methyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester
cas: 67584-57-0
chemspiderid: 95100
dtxsid: DTXSID7070509
formula: C12H10F13N1O4S1
inchikey: HLKZFXXWGVPYAY-UHFFFAOYSA-N
norman_susdat_id: NS00011222
pubchem_cid: 105449
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)COC(=O)C=C
inchi:
InChI=1S/C12H10F13NO4S/c1-3-6(27)30-5-4-26(2)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3H,1,4-5H2,2H3


name: 3-((Perfluoroheptyl)sulfonylamino)-N,N,N-trimethyl-1-propanaminium iodide
cas: 67584-58-1
chemspiderid: 95101
dtxsid: DTXSID60880567
formula: C13H16F15N2O2S1
inchikey: QHNLSCKDDZDPTI-UHFFFAOYSA-N
norman_susdat_id: NS00011417
pubchem_cid: 105451
smiles: C(N[S](C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC[N+](C)(C)C.[I-]
inchi:
InChI=1S/C13H16F15N2O2S.HI/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: 2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester
cas: 67584-59-2
chemspiderid: 95103
dtxsid: DTXSID6070510
formula: C11H12F9N1O4S1
inchikey: BEIWUHUHJDEMQO-UHFFFAOYSA-N
norman_susdat_id: NS00011226
pubchem_cid: 105452
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C(=C)C
inchi:
InChI=1S/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3


name: 2-Propenoic acid, 2-methyl-, 2-[methyl[(undecafluoropentyl)sulfonyl]amino]ethyl ester
cas: 67584-60-5
chemspiderid: 95104
dtxsid: DTXSID1070511
formula: C12H12F11N1O4S1
inchikey: ADSKDYCFRLKFDJ-UHFFFAOYSA-N
norman_susdat_id: NS00011228
pubchem_cid: 105453
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C(=C)C
inchi:
InChI=1S/C12H12F11NO4S/c1-6(2)7(25)28-5-4-24(3)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h1,4-5H2,2-3H3


name: 2-Propenoic acid, 2-methyl-, 2-[methyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester
cas: 67584-61-6
chemspiderid: 95105
dtxsid: DTXSID6070512
formula: C13H12F13N1O4S1
inchikey: MVZJFKDUUZOQFM-UHFFFAOYSA-N
norman_susdat_id: NS00011231
pubchem_cid: 105454
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)COC(=O)C(=C)C
inchi:
InChI=1S/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3


name: Potassium N-ethyl-N-[(pentadecafluoroheptyl)sulphonyl]glycinate
cas: 67584-62-7
formula: C11H8F15NO4S.K
inchikey: PVNCAZFPZMEICM-UHFFFAOYSA-M
norman_susdat_id: NS00088439
smiles: [K+].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.K/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: Glycine, N-ethyl-N-[(nonafluorobutyl)sulfonyl]-, ethyl ester
cas: 67584-63-8
chemspiderid: 95108
dtxsid: DTXSID6070514
formula: C10H12F9N1O4S1
inchikey: FUWUVCJRFPBKEF-UHFFFAOYSA-N
norman_susdat_id: NS00011243
pubchem_cid: 105457
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)OCC)C
inchi:
InChI=1S/C10H12F9NO4S/c1-3-20(5-6(21)24-4-2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-5H2,1-2H3


name: p-propoxyphenyl trans-4-pentylcyclohexanecarboxylate
cas: 67589-54-2
dtxsid: DTXSID70886838
formula: C21H32O3
inchikey: ZAUPPIHFDVKVJM-IYARVYRRSA-N
norman_susdat_id: NS00055847
pubchem_cid: 105461
smiles: O=C(OC1=CC=C(OCCC)C=C1)C2CCC(CCCCC)CC2
inchi:
InChI=1/C21H32O3/c1-3-5-6-7-17-8-10-18(11-9-17)21(22)24-20-14-12-19(13-15-20)23-16-4-2/h12-15,17-18H,3-11,16H2,1-2H3


name: 4-pentylphenyl 4-pentylcyclohexanecarboxylate
cas: 67589-72-4
formula: C23H36O2
inchikey: LRWYNCNGLGBMSP-UHFFFAOYSA-N
norman_susdat_id: NS00055848
pubchem_cid: 572408
smiles: O=C(OC1=CC=C(C=C1)CCCCC)C2CCC(CCCCC)CC2
inchi:
InChI=1/C23H36O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h13-14,17-19,21H,3-12,15-16H2,1-2H3


name: (3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
cas: 67596-04-7
formula: C11H21ClNO3.NO3
inchikey: PBTJSEJAYNNNMM-UHFFFAOYSA-N
norman_susdat_id: NS00088453
smiles: CC(=C)C(=O)OCC[N+](C)(C)CC(O)CCl.[O-][N+](=O)[O-]
inchi:
InChI=1/C11H21ClNO3.NO3/c1-9(2)11(15)16-6-5-13(3,4)8-10(14)7-12;2-1(3)4/h10,14H,1,5-8H2,2-4H3;/q+1;-1


name: Benzenamine, 4,4'-methylenebis[N-(1-methylpentylidene)-
cas: 67599-06-8
chemspiderid: 95114
dtxsid: DTXSID6070516
formula: C25H34N2
inchikey: JDKFIBYYGNZCBI-UHFFFAOYSA-N
norman_susdat_id: NS00036134
pubchem_cid: 105464
smiles: CCCCC(=Nc1ccc(Cc2ccc(cc2)N=C(C)CCCC)cc1)C
inchi:
InChI=1S/C25H34N2/c1-5-7-9-20(3)26-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)27-21(4)10-8-6-2/h11-18H,5-10,19H2,1-4H3/b26-20-,27-21+


cas: 67599-07-9
dtxsid: DTXSID00986956
formula: C34H32N6O10
inchikey: XCXQYMMMWHWPFX-UHFFFAOYSA-N
norman_susdat_id: NS00055894
pubchem_cid: NA
name:
Bis(2,6-dimethyl-4-nitrophenyl) [(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methyl-3,1-phenylene)]biscarbamate

inchi:
InChI=1/C34H30N6O10/c1-17-7-9-23(15-27(17)35-31(41)49-29-19(3)11-25(39(45)46)12-20(29)4)37-33(43)38(34(37)44)24-10-8-18(2)28(16-24)36-32(42)50-30-21(5)13-26(40(47)48)14-22(30)6/h7-16H,1-6H3,(H,35,41)(H,36,42)

smiles:
O=C(OC=1C(=CC(=CC1C)[N+](=O)[O-])C)NC2=CC(=CC=C2C)N3C(=O)N(C3=O)C4=CC=C(C(=C4)NC(=O)OC=5C(=CC(=CC5C)[N+](=O)[O-])C)C


name: Bis(2-oxo-1,2-diphenylethyl) (methylenedicyclohexane-4,1-diyl)dicarbamate
cas: 67599-08-0
dtxsid: DTXSID60986957
formula: C43H46N2O6
inchikey: YQWPDWHCQZWVLX-UHFFFAOYSA-N
norman_susdat_id: NS00055895
pubchem_cid: 106718
smiles: O=C(OC(C(=O)C=1C=CC=CC1)C=2C=CC=CC2)NC3CCC(CC3)CC4CCC(NC(=O)OC(C(=O)C=5C=CC=CC5)C=6C=CC=CC6)CC4
inchi:
InChI=1/C43H46N2O6/c46-38(32-13-5-1-6-14-32)40(34-17-9-3-10-18-34)50-42(48)44-36-25-21-30(22-26-36)29-31-23-27-37(28-24-31)45-43(49)51-41(35-19-11-4-12-20-35)39(47)33-15-7-2-8-16-33/h1-20,30-31,36-37,40-41H,21-29H2,(H,44,48)(H,45,49)


cas: 67599-16-0
dtxsid: DTXSID5070523
formula: C26H21ClN4O5
inchikey: XELAQUCFCFVEEV-UHFFFAOYSA-N
norman_susdat_id: NS00055896
pubchem_cid: 105475
smiles: O=C(N)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C(Cl)C=C4OC)=C1
name:
4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(4-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C26H21ClN4O5/c1-35-21-10-7-15(25(28)33)12-20(21)30-31-23-17-6-4-3-5-14(17)11-18(24(23)32)26(34)29-19-9-8-16(27)13-22(19)36-2/h3-13,32H,1-2H3,(H2,28,33)(H,29,34)


name: 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-
cas: 67599-17-1
chemspiderid: 7850713
dtxsid: DTXSID0070524
formula: C25H19Cl1N4O6
inchikey: NGLOYGPWNUYALP-UHFFFAOYSA-N
norman_susdat_id: NS00036136
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2c(OC)cc(Cl)cc2)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C25H19ClN4O6/c1-35-21-10-8-16(30(33)34)13-20(21)28-29-23-17-6-4-3-5-14(17)11-18(24(23)31)25(32)27-19-9-7-15(26)12-22(19)36-2/h3-13,28H,1-2H3,(H,27,32)/b29-23-


name: 4-[(4-chloro-2-methylphenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
cas: 67599-18-2
dtxsid: DTXSID5070525
formula: C25H20ClN3O3
inchikey: BVAAXFQAGXGNJD-UHFFFAOYSA-N
norman_susdat_id: NS00055898
pubchem_cid: 105477
smiles: O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C25H20ClN3O3/c1-15-13-17(26)11-12-20(15)28-29-23-18-8-4-3-7-16(18)14-19(24(23)30)25(31)27-21-9-5-6-10-22(21)32-2/h3-14,30H,1-2H3,(H,27,31)


name: 4-(propoxycarbonyl)phenyl 3-amino-4-methylbenzoate
cas: 67603-68-3
dtxsid: DTXSID90986965
formula: C18H19NO4
inchikey: FCHWUWAOAMZMMT-UHFFFAOYSA-N
norman_susdat_id: NS00055352
pubchem_cid: 3017773
smiles: O=C(OC1=CC=C(C=C1)C(=O)OCCC)C2=CC=C(C(N)=C2)C
inchi:
InChI=1/C18H19NO4/c1-3-10-22-17(20)13-6-8-15(9-7-13)23-18(21)14-5-4-12(2)16(19)11-14/h4-9,11H,3,10,19H2,1-2H3


name: PD 0343701
cas: 676116-04-4
chemspiderid: 8160077
formula: C25H30N4O1S1
inchikey: SRAQFALNAGNAQE-UHFFFAOYSA-N
norman_susdat_id: NS00015618
pubchem_cid: 9984488
smiles: CC1=C2C(=CC(=C1)CCN3CCN(CC3)C4=NSC5=CC=CC=C54)C(CC(=O)N2)(C)C
inchi:
InChI=1S/C25H30N4OS/c1-17-14-18(15-20-23(17)26-22(30)16-25(20,2)3)8-9-28-10-12-29(13-11-28)24-19-6-4-5-7-21(19)31-27-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,30)


name: Potassium 5-oxo-1-phenyl-2-thioxoimidazolidine-4-methanesulphonate
cas: 67617-39-4
dtxsid: DTXSID60986977
formula: C10H10N2O4S2
inchikey: KQOCXOAFBZCYRF-UHFFFAOYSA-M
norman_susdat_id: NS00056658
pubchem_cid: 3017775
smiles: [K+].O=C1N(C=2C=CC=CC2)C(=S)NC1CS(=O)(=O)[O-]
inchi:
InChI=1/C10H10N2O4S2.K/c13-9-8(6-18(14,15)16)11-10(17)12(9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,17)(H,14,15,16);/q;+1/p-1


name: N-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}urea
cas: 676228-91-4
chemspiderid: 17340044
dtxsid: DTXSID60583566
formula: C10H11Cl1N4O1S1
inchikey: LEZHOZPJYAQQNU-UVTDQMKNSA-N
norman_susdat_id: NS00000449
pubchem_cid: 16212161
smiles: Clc1ncc(cc1)CN2C(=N/C(=O)N)/SCC2
inchi:
InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)/b14-10-


name: Regrelor
cas: 676251-22-2
dtxsid: DTXSID80229272
formula: C22H25N6O8P
inchikey: NXHAXEBZOXCDKD-XIXRRVGJSA-N
norman_susdat_id: NS00071878
pubchem_cid: 11273179
smiles: CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21
inchi:
InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1


name: Zinc (Z)-hexadec-9-enoate
cas: 67627-66-1
formula: C16H30O2.1/2Zn
inchikey: TWTVHORHASCLNS-ATMONBRVSA-L
norman_susdat_id: NS00088481
smiles: [Zn+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H30O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Barium (Z)-hexadec-9-enoate
cas: 67627-67-2
formula: C16H30O2.1/2Ba
inchikey: FSVULFSYGBYPJS-ATMONBRVSA-L
norman_susdat_id: NS00088042
smiles: [Ba+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H30O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Calcium (Z)-hexadec-9-enoate
cas: 67627-68-3
formula: C16H30O2.1/2Ca
inchikey: UPDJPSZNDASPIT-ATMONBRVSA-L
norman_susdat_id: NS00088043
smiles: [Ca+2].CCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2


name: ISOSTEARAMINOPRO- PALKONIUM CHLORIDE
cas: 67633-59-4
chemspiderid: 95134
formula: C30H55N2O1
inchikey: CGTAKBAGTGAAJN-UHFFFAOYSA-O
norman_susdat_id: NS00013797
pubchem_cid: 105491
smiles: [Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1S/C30H54N2O.ClH/c1-28(2)21-16-13-11-9-7-5-6-8-10-12-14-19-24-30(33)31-25-20-26-32(3,4)27-29-22-17-15-18-23-29;/h15,17-18,22-23,28H,5-14,16,19-21,24-27H2,1-4H3;1H


name: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxoisooctadecyl)amino]-, ethyl sulfate
cas: 67633-63-0
chemspiderid: 95138
dtxsid: DTXSID9070531
formula: C25H53N2O1
inchikey: PDPQOUABMCNPBG-UHFFFAOYSA-O
norman_susdat_id: NS00013796
pubchem_cid: 105495
smiles: CCO[S]([O-])(=O)=O.CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C25H52N2O.C2H6O4S/c1-6-27(4,5)23-19-22-26-25(28)21-18-16-14-12-10-8-7-9-11-13-15-17-20-24(2)3;1-2-6-7(3,4)5/h24H,6-23H2,1-5H3;2H2,1H3,(H,3,4,5)


cas: 67633-68-5
formula: C21H44NO2
norman_susdat_id: NS00101830
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxotetradecyl)-.omega.-[2-(diethylmethylammonio)ethoxy]-, methyl sulfate


name: Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate
cas: 67633-77-6
chemspiderid: 95144
dtxsid: DTXSID9070533
formula: C45H89N4O2
inchikey: JNJKXFOAPIVBST-UHFFFAOYSA-O
norman_susdat_id: NS00014026
pubchem_cid: 105503
smiles: CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N.CCO[S]([O-])(=O)=O
inchi:
InChI=1S/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(6-3,41-35-38-46)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: Octadecanamide, N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]-, monoacetate (salt)
cas: 67633-78-7
chemspiderid: 143194
dtxsid: DTXSID4070534
formula: C40H80N2O3
inchikey: NZALSSRPXOACPI-UHFFFAOYSA-N
norman_susdat_id: NS00020224
pubchem_cid: 163146
smiles: CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80N2O3/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/h43H,3-38H2,1-2H3,(H,41,44)


name: (2-cyanoethyl)ethyl(2-hydroxyethyl)[2-[(1-oxooctadecyl)amino]ethyl]ammonium ethyl sulphate
cas: 67633-82-3
dtxsid: DTXSID70885740
formula: C27H54N3O2
inchikey: SMLFYWFPNTYKPW-UHFFFAOYSA-N
norman_susdat_id: NS00055353
pubchem_cid: 105506
smiles: N#CCC[N+](CC)(CCO)CCNC(=O)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C27H53N3O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(32)29-22-24-30(4-2,25-26-31)23-19-21-28;1-2-6-7(3,4)5/h31H,3-20,22-26H2,1-2H3;2H2,1H3,(H,3,4,5)


name: Acetic acid, sulfo-, 1-octadecyl ester, sodium salt
cas: 67633-83-4
chemspiderid: 95147
dtxsid: DTXSID4070536
formula: C20H40O5S1
inchikey: DHEFPDMZLDVKSD-UHFFFAOYSA-M
norman_susdat_id: NS00036139
pubchem_cid: 23695338
smiles: [Na+].CCCCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]
inchi:
InChI=1S/C20H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-20(21)19-26(22,23)24/h2-19H2,1H3,(H,22,23,24)


name: Oleic acid, compound with N-methyldicyclohexylamine (1:1)
cas: 67633-84-5
formula: C18H34O2.C13H25N
inchikey: KXCCOLSKJMTKGD-KVVVOXFISA-N
norman_susdat_id: NS00088044
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CN(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C18H34O2.C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h9-10H,2-8,11-17H2,1H3,(H,19,20);12-13H,2-11H2,1H3


name: Oleic acid, compound with 1,4-diazabicyclo[2.2.2]octane (1:1)
cas: 67633-85-6
formula: C18H34O2.C6H12N2
inchikey: SUAAJVZCFQNMRS-KVVVOXFISA-N
norman_susdat_id: NS00088045
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.C1CN2CCN1CC2
inchi:
InChI=1/C18H34O2.C6H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-5-3-7(1)4-6-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-6H2


name: Bis(2-hydroxyethyl)ammonium octyl sulphate
cas: 67633-87-8
formula: C8H18O4S.C4H11NO2
inchikey: FQEONVSBIOOXJN-UHFFFAOYSA-N
norman_susdat_id: NS00088104
smiles: CCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C8H18O4S.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H,9,10,11);5-7H,1-4H2


name: 1-Eicosanol, hydrogen sulfate
cas: 67633-89-0
chemspiderid: 75074
dtxsid: DTXSID4070538
formula: C20H42O4S1
inchikey: DLFKFFZPKVOYJI-UHFFFAOYSA-N
norman_susdat_id: NS00036140
pubchem_cid: 83208
smiles: CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
inchi:
InChI=1S/C20H42O4S/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,(H,21,22,23)


name: Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl ester
cas: 67633-98-1
chemspiderid: 4941814
dtxsid: DTXSID30867289
formula: C19H30O2
inchikey: JBONJDLTGVVYHE-RIYZIHGNSA-N
norman_susdat_id: NS00013189
pubchem_cid: 6437242
smiles: CCCC(=O)OC/C(C)=C/CCC1(C)C2CCC(C2)C1=C
inchi:
InChI=1S/C19H30O2/c1-5-7-18(20)21-13-14(2)8-6-11-19(4)15(3)16-9-10-17(19)12-16/h8,16-17H,3,5-7,9-13H2,1-2,4H3/b14-8+


name: Butanoic acid, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-penten-1-yl ester
cas: 67633-99-2
chemspiderid: 4941815
dtxsid: DTXSID40867290
formula: C19H30O2
inchikey: QDSFSPZPVZEBGR-MDWZMJQESA-N
norman_susdat_id: NS00013188
pubchem_cid: 6437243
smiles: CCCC(=O)OC/C(C)=C/CCC1(C)C2CC3C(C2)C13C
inchi:
InChI=1S/C19H30O2/c1-5-7-17(20)21-12-13(2)8-6-9-18(3)14-10-15-16(11-14)19(15,18)4/h8,14-16H,5-7,9-12H2,1-4H3/b13-8+


name: [2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzene
cas: 67634-02-0
formula: C28H42O2
inchikey: KJTMVMCIPAJMOH-UHFFFAOYSA-N
norman_susdat_id: NS00087858
smiles: C/C(C)=C\CCC(C)=CCOC(OCC=C(C)CC\C=C(/C)C)Cc1ccccc1
inchi:
InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3


name: Benzene, [2,2-bis[(3,7-dimethyl-6-octen-1-yl)oxy]ethyl]-
cas: 67634-04-2
chemspiderid: 96064
dtxsid: DTXSID60867292
formula: C28H46O2
inchikey: UZCGMNMYZDLKDA-UHFFFAOYSA-N
norman_susdat_id: NS00013131
pubchem_cid: 106732
smiles: CC(CCOC(Cc1ccccc1)OCCC(C)CCC=C(C)C)CCC=C(C)C
inchi:
InChI=1S/C28H46O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-17,25-26,28H,10-11,14-15,18-22H2,1-6H3


name: Methyl 2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexenyl]methylene]amino]benzoate
cas: 67634-12-2
chemspiderid: 96072
dtxsid: DTXSID3052357
formula: C21H29N1O3
inchikey: HNLBOCGUTPSUHX-PXLXIMEGSA-N
norman_susdat_id: NS00012908
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CC2CCC(=CC2)CCCC(C)(C)O
inchi:
InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3


name: propionylprocainamide
cas: 67635-46-5
chemspiderid: 114221
formula: C16H25N3O2
inchikey: KFVINGKPXQSPNP-UHFFFAOYSA-N
norman_susdat_id: NS00005590
pubchem_cid: 128898
smiles: CCN(CC)CCc1cc(N)ccc1C(=O)NC(=O)CC
inchi:
InChI=1S/C16H25N3O2/c1-4-15(20)18-16(21)14-8-7-13(17)11-12(14)9-10-19(5-2)6-3/h7-8,11H,4-6,9-10,17H2,1-3H3,(H,18,20,21)


name: Sodium 2-[4-(2-cyanoacetamido)phenyl]-6-methylbenzothiazole-7-sulphonate
cas: 6764-27-8
dtxsid: DTXSID5064469
formula: C17H13N3O4S2
inchikey: FVBBIANRIRKAOK-UHFFFAOYSA-M
norman_susdat_id: NS00047860
pubchem_cid: 81235
smiles: [Na+].N#CCC(=O)NC1=CC=C(C=C1)C2=NC=3C=CC(=C(C3S2)S(=O)(=O)[O-])C
inchi:
InChI=1/C17H13N3O4S2.Na/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18;/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24);/q;+1/p-1


name: 2,3,4,5,6-pentafluorobenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
cas: 67640-14-6
formula: C15H11Cl2F5O2
inchikey: YATDSXRLIUJOQN-UHFFFAOYSA-N
norman_susdat_id: NS00088124
smiles: CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)c(F)c(F)c2F
inchi:
InChI=1/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3


name: 5-nitro-2-furaldehyde O-[3-(2,6-dimethylpiperidino)-2-hydroxypropyl]oxime monohydrochloride
cas: 67642-21-1
dtxsid: DTXSID70886333
formula: C15H24N3O5
inchikey: OTONTHYBDVUFTM-OHGISNTKSA-N
norman_susdat_id: NS00055832
pubchem_cid: 9576395
smiles: Cl.O=[N+]([O-])C=1OC(C=NOCC(O)CN2C(C)CCCC2C)=CC1
inchi:
InChI=1/C15H23N3O5.ClH/c1-11-4-3-5-12(2)17(11)9-13(19)10-22-16-8-14-6-7-15(23-14)18(20)21;/h6-8,11-13,19H,3-5,9-10H2,1-2H3;1H


name: N-DODECYLTIN S,S,S- TRIS(ISOOCTYLMERCAPTOACETATE)
cas: 67649-65-4
dtxsid: DTXSID70217961
formula: C42H82O6S3Sn
inchikey: BRTAUCXEBFNCRH-UHFFFAOYSA-K
norman_susdat_id: NS00112990
smiles: CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C12H25.3C10H20O2S.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-9(2)6-4-3-5-7-12-10(11)8-13;/h1,3-12H2,2H3;3*9,13H,3-8H2,1-2H3;/q;;;;+3/p-3


name: Bevenopran
cas: 676500-67-7
dtxsid: DTXSID90217963
formula: C20H26N4O4
inchikey: ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
norman_susdat_id: NS00072295
pubchem_cid: 10452732
smiles: COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(C(N)=O)cn1
inchi:
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)


name: Amastatin
cas: 67655-94-1
chebiid: CHEBI:2624
chemspiderid: 388612
formula: C21H38N4O8
inchikey: QFAADIRHLBXJJS-ZAZJUGBXSA-N
norman_susdat_id: NS00011840
pubchem_cid: 439518
smiles: CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N
inchi:
InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1


name: Onchidal
cas: 67656-42-2
dtxsid: DTXSID90897204
formula: C17H24O3
inchikey: BEKQPDFPPJFVJP-AHSQCEKMSA-N
norman_susdat_id: NS00075560
smiles: CC(=O)OC=CC(C=O)=C/CC1C(=C)CCCC1(C)C
inchi:
InChI=1/C17H24O3/c1-13-6-5-10-17(3,4)16(13)8-7-15(12-18)9-11-20-14(2)19/h7,9,11-12,16H,1,5-6,8,10H2,2-4H3/b11-9+,15-7+


name: 12:2 Fluorotelomer aldehyde
cas: 67659-33-0
chemspiderid: 9770191
formula: C14H3F25O1
inchikey: OFHYKJHONPWSJU-UHFFFAOYSA-N
norman_susdat_id: NS00011079
pubchem_cid: NA
smiles: O=CCC(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
inchi:
InChI=1S/C14H3F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2


name: a,a,e,3-tetramethyl-<U+03B7>-(3-methyl-3H-indol-3-yl)-3H-indole-3-heptanol
cas: 67663-00-7
dtxsid: DTXSID70886338
formula: C28H36N2O
inchikey: LRPMXGLOVFPBKD-UHFFFAOYSA-N
norman_susdat_id: NS00056786
pubchem_cid: 106755
smiles: OC(C)(C)CCCC(C)CC(C1(C=NC=2C=CC=CC21)C)C3(C=NC=4C=CC=CC43)C
inchi:
InChI=1/C28H36N2O/c1-20(11-10-16-26(2,3)31)17-25(27(4)18-29-23-14-8-6-12-21(23)27)28(5)19-30-24-15-9-7-13-22(24)28/h6-9,12-15,18-20,25,31H,10-11,16-17H2,1-5H3


name: 20-(4-Dodecylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
cas: 67669-59-4
chemspiderid: 4957781
dtxsid: DTXSID80217977
formula: C32H58O8
inchikey: DBYCHBRPJCNLSN-UHFFFAOYSA-N
norman_susdat_id: NS00036146
pubchem_cid: 6455520
smiles: CCCCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C32H58O8/c1-2-3-4-5-6-7-8-9-10-11-12-31-13-15-32(16-14-31)40-30-29-39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33/h13-16,33H,2-12,17-30H2,1H3


name: (3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(oleato-O)magnesium
cas: 6767-73-3
formula: C25H40MgN4O4
inchikey: CMAIXUNGPMYEQR-UHFFFAOYSA-L
norman_susdat_id: NS00082904
smiles: CCCCCCCCC=CCCCCCCCC(=O)O[Mg]N1C(=O)N(C)c2ncn(C)c2C1=O
inchi:
InChI=1/C18H34O2.C7H8N4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H3,(H,9,12,13);/q;;+2/p-2/rC25H40MgN4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(31)34-26-30-24(32)22-23(27-20-28(22)2)29(3)25(30)33/h11-12,20H,4-10,13-19H2,1-3H3


name: Acetamide, N-[5-[(2-hydroxyethyl)sulfonyl]-2,4-dimethoxyphenyl]-
cas: 67674-20-8
chemspiderid: 95156
dtxsid: DTXSID8070546
formula: C12H17N1O6S1
inchikey: ATBMYJLQRLENFC-UHFFFAOYSA-N
norman_susdat_id: NS00036147
pubchem_cid: 105519
smiles: COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)CCO
inchi:
InChI=1S/C12H17NO6S/c1-8(15)13-9-6-12(20(16,17)5-4-14)11(19-3)7-10(9)18-2/h6-7,14H,4-5H2,1-3H3,(H,13,15)


name: Sodium 2-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-5-nitrobenzenesulphonate
cas: 67674-21-9
dtxsid: DTXSID40886340
formula: C18H15N4O6S
inchikey: CJNUNQHAMCRMMS-UHFFFAOYSA-M
norman_susdat_id: NS00055883
pubchem_cid: 135764813
smiles: [Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2)C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H14N4O6S.Na/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28;/h1-11,19,23H,(H,26,27,28);/q;+1/p-1


name: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-methoxyphenyl]-
cas: 67674-22-0
chemspiderid: 95157
dtxsid: DTXSID3070547
formula: C17H17Br1N6O6
inchikey: DBNNFEUEAYSBCO-UHFFFAOYSA-N
norman_susdat_id: NS00020334
pubchem_cid: 105522
smiles: CCNc1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C17H17BrN6O6/c1-4-19-14-7-12(20-9(2)25)13(8-16(14)30-3)21-22-17-11(18)5-10(23(26)27)6-15(17)24(28)29/h5-8,19H,4H2,1-3H3,(H,20,25)/b22-21+


name: 2-[[4-[(2,5-dichlorophenyl)azo]-3-methylphenyl]ethylamino]ethanol
cas: 67674-23-1
dtxsid: DTXSID20886848
formula: C17H19Cl2N3O
inchikey: LPTYKUABXWKEEE-UHFFFAOYSA-N
norman_susdat_id: NS00055454
pubchem_cid: 105523
smiles: ClC1=CC=C(Cl)C(N=NC2=CC=C(C=C2C)N(CC)CCO)=C1
inchi:
InChI=1/C17H19Cl2N3O/c1-3-22(8-9-23)14-5-7-16(12(2)10-14)20-21-17-11-13(18)4-6-15(17)19/h4-7,10-11,23H,3,8-9H2,1-2H3


name: Benzenesulfonamide, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-N,N-dimethyl-
cas: 67674-24-2
chemspiderid: 95159
dtxsid: DTXSID8070548
formula: C16H20N4O3S1
inchikey: DBZDIZIHYNYEMO-UHFFFAOYSA-N
norman_susdat_id: NS00036148
pubchem_cid: 105524
smiles: COc1cc(N=Nc2ccc(cc2)S(=O)(=O)N(C)C)c(C)cc1N
inchi:
InChI=1S/C16H20N4O3S/c1-11-9-14(17)16(23-4)10-15(11)19-18-12-5-7-13(8-6-12)24(21,22)20(2)3/h5-10H,17H2,1-4H3/b19-18-


name: Ethanol, 2,2'-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bis-
cas: 67674-25-3
chemspiderid: 95160
dtxsid: DTXSID3070549
formula: C17H20N4O4
inchikey: PBUKNKCXMIEGOO-UHFFFAOYSA-N
norman_susdat_id: NS00036149
pubchem_cid: 105525
smiles: Cc1c(ccc(c1)N=Nc1ccc(cc1)[N+](=O)[O-])N(CCO)CCO
inchi:
InChI=1S/C17H20N4O4/c1-13-12-15(4-7-17(13)20(8-10-22)9-11-23)19-18-14-2-5-16(6-3-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3/b19-18+


name: 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-[(3-hydroxypropyl)amino]-
cas: 67674-26-4
chemspiderid: 95161
dtxsid: DTXSID2070550
formula: C19H20N2O4
inchikey: XWIBNOGPNKMAPE-UHFFFAOYSA-N
norman_susdat_id: NS00036150
pubchem_cid: 105526
smiles: OCCCNc1ccc(NCCO)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H20N2O4/c22-10-3-8-20-14-6-7-15(21-9-11-23)17-16(14)18(24)12-4-1-2-5-13(12)19(17)25/h1-2,4-7,20-23H,3,8-11H2


name: 9,10-Anthracenedione, 1-amino-2-bromo-4,5-dihydroxy-8-[(phenylmethyl)amino]-
cas: 67674-27-5
chemspiderid: 95162
dtxsid: DTXSID7070551
formula: C21H15Br1N2O4
inchikey: NKSQHTJRIYAPSZ-UHFFFAOYSA-N
norman_susdat_id: NS00036151
pubchem_cid: 105527
smiles: Nc1c(Br)cc(O)c2c1C(=O)c1c(c(O)ccc1NCc1ccccc1)C2=O
inchi:
InChI=1S/C21H15BrN2O4/c22-11-8-14(26)17-18(19(11)23)20(27)15-12(6-7-13(25)16(15)21(17)28)24-9-10-4-2-1-3-5-10/h1-8,24-26H,9,23H2


name: Sodium m-[[4-[[p-[bis(2-hydroxyethyl)amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonate
cas: 67674-28-6
formula: C26H25N5O5S.Na
inchikey: ONPFOQUDWPKMIV-UHFFFAOYSA-M
norman_susdat_id: NS00087894
smiles: [Na+].OCCN(CCO)c1ccc(cc1)N=Nc4ccc(N=Nc2cccc(c2)S([O-])(=O)=O)c3ccccc34
inchi:
InChI=1/C26H25N5O5S.Na/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36;/h1-13,18,32-33H,14-17H2,(H,34,35,36);/q;+1/p-1


cas: 67674-29-7
dtxsid: DTXSID2070552
formula: C20H20N2O12S3
inchikey: PWYLBTOLSOJCAB-UHFFFAOYSA-N
norman_susdat_id: NS00055467
pubchem_cid: 105529
smiles: O=S(=O)(O)OCCS(=O)(=O)C=1C=C(OC)C=C(OC)C1N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)O
name:
3-[[2,4-dimethoxy-6-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-1-sulphonic acid

inchi:
InChI=1/C20H20N2O12S3/c1-32-12-9-16(33-2)19(18(10-12)35(24,25)8-7-34-37(29,30)31)22-21-15-11-17(36(26,27)28)13-5-3-4-6-14(13)20(15)23/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31)


name: Acetamide, N-[3-[(2-hydroxyethyl)sulfonyl]-4-methoxyphenyl]-
cas: 67674-32-2
chemspiderid: 95165
dtxsid: DTXSID2070554
formula: C11H15N1O5S1
inchikey: ZZTVEJMYLNAEMN-UHFFFAOYSA-N
norman_susdat_id: NS00036154
pubchem_cid: 105531
smiles: COc1c(cc(NC(=O)C)cc1)S(=O)(=O)CCO
inchi:
InChI=1S/C11H15NO5S/c1-8(14)12-9-3-4-10(17-2)11(7-9)18(15,16)6-5-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]nonanamide monoacetate
cas: 67674-54-8
formula: C17H39N5O.C2H4O2
inchikey: XJVKALZHUBOMKI-UHFFFAOYSA-N
norman_susdat_id: NS00087907
smiles: CCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C17H39N5O.C2H4O2/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18;1-2(3)4/h19-21H,2-16,18H2,1H3,(H,22,23);1H3,(H,3,4)


name: N-[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]lauramide monohydrochloride
cas: 67674-58-2
dtxsid: DTXSID6070562
formula: C20H44N2O4Si
inchikey: PVNHWQFFHAUMIB-UHFFFAOYSA-N
norman_susdat_id: NS00056049
pubchem_cid: 105546
smiles: Cl.O=C(NCCNCCC[Si](OC)(OC)OC)CCCCCCCCCCC
inchi:
InChI=1/C20H44N2O4Si.ClH/c1-5-6-7-8-9-10-11-12-13-15-20(23)22-18-17-21-16-14-19-27(24-2,25-3)26-4;/h21H,5-19H2,1-4H3,(H,22,23);1H


name: N-[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]stearamide monohydrochloride
cas: 67674-59-3
dtxsid: DTXSID1070563
formula: C26H56N2O4Si
inchikey: ANFRJSJPTKQAGX-UHFFFAOYSA-N
norman_susdat_id: NS00055500
pubchem_cid: 105548
smiles: Cl.O=C(NCCNCCC[Si](OC)(OC)OC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H56N2O4Si.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29)28-24-23-27-22-20-25-33(30-2,31-3)32-4;/h27H,5-25H2,1-4H3,(H,28,29);1H


name: N-(1-phenylethylidene)-3-(triethoxysilyl)propylamine
cas: 67674-60-6
dtxsid: DTXSID6070564
formula: C17H29NO3Si
inchikey: CGXGBCIINMEAQW-UHFFFAOYSA-N
norman_susdat_id: NS00056050
pubchem_cid: 105549
smiles: N(=C(C=1C=CC=CC1)C)CCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C17H29NO3Si/c1-5-19-22(20-6-2,21-7-3)15-11-14-18-16(4)17-12-9-8-10-13-17/h8-10,12-13H,5-7,11,14-15H2,1-4H3


cas: 67674-67-3
dtxsid: DTXSID60894467
norman_susdat_id: NS00075937
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl]-.omega.-hydroxy-


name: omega-9 Hpaa
cas: 67675-13-2
formula: C20H32O4
inchikey: ZIOZYRSDNLNNNJ-VXBMJZGYSA-N
norman_susdat_id: NS00096498
smiles: CCCCC/C=CCC(/C=C/C=CC/C=CCCCC(=O)O)OO
inchi:
InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+


name: Acrihellin
cas: 67696-82-6
formula: C29H38O7
inchikey: RIOSSPWEPWYRLD-SBQWKNPYSA-N
norman_susdat_id: NS00055941
pubchem_cid: 6917708
smiles: O=CC12CCC(OC(=O)C=C(C)C)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O
inchi:
InChI=1/C29H38O7/c1-18(2)14-25(32)36-20-6-11-27(17-30)22-7-10-26(3)21(19-4-5-24(31)35-16-19)9-13-29(26,34)23(22)8-12-28(27,33)15-20/h4-5,14,16-17,20-23,33-34H,6-13,15H2,1-3H3


name: 1,4-Benzenedicarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
cas: 67697-31-8
chemspiderid: 95184
dtxsid: DTXSID6070568
formula: C20H17N1O5
inchikey: ZXJGBGUTCPMOCU-UHFFFAOYSA-N
norman_susdat_id: NS00036161
pubchem_cid: 105556
smiles: CCn1c(C)c(C(=O)c2c(ccc(c2)C(=O)O)C(=O)O)c2c1cccc2
inchi:
InChI=1S/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)15-10-12(19(23)24)8-9-13(15)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)


name: 4-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]isophthalic acid
cas: 67697-32-9
chemspiderid: 95185
dtxsid: DTXSID1070569
formula: C20H17N1O5
inchikey: RUEPPNNHGBTSCH-UHFFFAOYSA-N
norman_susdat_id: NS00036162
pubchem_cid: 105557
smiles: CCn1c(C)c(C(=O)c2c(cc(cc2)C(=O)O)C(=O)O)c2c1cccc2
inchi:
InChI=1S/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)13-9-8-12(19(23)24)10-15(13)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)


name: 3-(diphenylamino)-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
cas: 67697-46-5
dtxsid: DTXSID20886863
formula: C31H26N2O2
inchikey: KVDCSHMOMPLXEU-UHFFFAOYSA-N
norman_susdat_id: NS00056052
pubchem_cid: 105558
smiles: O=C1OC(C=2C=CC=CC12)(C=3C=4C=CC=CC4N(C3C)CC)N(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C31H26N2O2/c1-3-32-22(2)29(26-19-11-13-21-28(26)32)31(27-20-12-10-18-25(27)30(34)35-31)33(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-21H,3H2,1-2H3


name: 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)phthalide
cas: 67697-69-2
dtxsid: DTXSID80886864
formula: C28H24N2O2
inchikey: CJHMJVWTJNXUPY-UHFFFAOYSA-N
norman_susdat_id: NS00055519
pubchem_cid: 106771
smiles: O=C1OC(C2=CC=C(C=C2)N(C)C)(C=3C=CC=CC13)N(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C28H24N2O2/c1-29(2)22-19-17-21(18-20-22)28(26-16-10-9-15-25(26)27(31)32-28)30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20H,1-2H3


name: 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]phthalide
cas: 67697-75-0
dtxsid: DTXSID50867307
formula: C44H56N2O2
inchikey: VHAKYQXQOXNMCV-UHFFFAOYSA-N
norman_susdat_id: NS00055942
pubchem_cid: 106772
smiles: O=C1OC(C2=CC=C(C=C2)N(C)C)(C=3C=CC=CC13)N(C4=CC=C(C=C4)CCCCCCCC)C5=CC=C(C=C5)CCCCCCCC
inchi:
InChI=1/C44H56N2O2/c1-5-7-9-11-13-15-19-35-23-29-39(30-24-35)46(40-31-25-36(26-32-40)20-16-14-12-10-8-6-2)44(37-27-33-38(34-28-37)45(3)4)42-22-18-17-21-41(42)43(47)48-44/h17-18,21-34H,5-16,19-20H2,1-4H3


name: Vinzolidine
cas: 67699-40-5
formula: C48H58ClN5O9
inchikey: MMRCWWRFYLZGAE-JBJHZRFESA-N
norman_susdat_id: NS00066768
pubchem_cid: 9962813
inchi:
InChI=1/C48H58ClN5O9/c1-7-44(59)24-29-25-47(42(57)61-6,37-31(14-19-52(26-29)27-44)30-12-9-10-13-34(30)50-37)33-22-32-35(23-36(33)60-5)51(4)39-46(32)16-20-53-18-11-15-45(8-2,38(46)53)40(62-28(3)55)48(39)41(56)54(21-17-49)43(58)63-48/h9-13,15,22-23,29,38-40,50,59H,7-8,14,16-21,24-27H2,1-6H3

smiles:
O=C1OC2(C(=O)N1CCCl)C(OC(=O)C)C3(C=CCN4CCC5(C6=CC(=C(OC)C=C6N(C)C25)C7(C(=O)OC)C=8NC=9C=CC=CC9C8CCN%10CC(C7)CC(O)(C%10)CC)C43)CC


name: 1,1',1'',1'''-(ethylenedinitrilo)tetrakis(3-chloropropan-2-ol)
cas: 67699-50-7
dtxsid: DTXSID40987043
formula: C14H28Cl4N2O4
inchikey: QKLFTYLXUUYZMM-UHFFFAOYSA-N
norman_susdat_id: NS00056053
pubchem_cid: 6455525
smiles: ClCC(O)CN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl
inchi:
InChI=1/C14H28Cl4N2O4/c15-3-11(21)7-19(8-12(22)4-16)1-2-20(9-13(23)5-17)10-14(24)6-18/h11-14,21-24H,1-10H2


name: Perfluoro-1-iodo-9-methyldecane
cas: 677-93-0
chemspiderid: 62821
dtxsid: DTXSID5060984
formula: C11F23I1
inchikey: ZBAGFGHCDOIBDJ-UHFFFAOYSA-N
norman_susdat_id: NS00011177
pubchem_cid: 69618
smiles: FC(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11F23I/c12-1(9(27,28)29,10(30,31)32)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)11(33,34)35


name: Amines, di-C14-18-alkylmethyl
cas: 67700-99-6
dtxsid: DTXSID7028304
formula: C33H69N
inchikey: KCMTVIZYKDBFFS-UHFFFAOYSA-N
norman_susdat_id: NS00066745
pubchem_cid: 105560
smiles: N(C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H69N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33H2,1-3H3


name: Avatrombopag
cas: 677007-74-8
dtxsid: DTXSID30205667
formula: C29H34Cl2N6O3S2
inchikey: OFZJKCQENFPZBH-UHFFFAOYSA-N
norman_susdat_id: NS00072948
pubchem_cid: 9852519
smiles: O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
inchi:
InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)


name: Bis(3-amino-4-methylbenzamide) sulphate
cas: 67701-35-3
formula: C8H10N2O.1/2H2O4S
inchikey: NACGHFCJVMGMES-UHFFFAOYSA-N
norman_susdat_id: NS00088183
smiles: Cc1ccc(cc1N)C(=O)N.Cc2ccc(cc2N)C(=O)N.OS(=O)(=O)O
inchi:
InChI=1/2C8H10N2O.H2O4S/c2*1-5-2-3-6(8(10)11)4-7(5)9;1-5(2,3)4/h2*2-4H,9H2,1H3,(H2,10,11);(H2,1,2,3,4)


name: 9,10-Anthracenedione, 1,4-bis[(3-hydroxypropyl)amino]-
cas: 67701-36-4
chemspiderid: 95192
dtxsid: DTXSID0070572
formula: C20H22N2O4
inchikey: LUYYUZYWBTWOFO-UHFFFAOYSA-N
norman_susdat_id: NS00036164
pubchem_cid: 105567
smiles: OCCCNc1ccc(NCCCO)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H22N2O4/c23-11-3-9-21-15-7-8-16(22-10-4-12-24)18-17(15)19(25)13-5-1-2-6-14(13)20(18)26/h1-2,5-8,21-24H,3-4,9-12H2


name: [(octylsuccinyl)bis(oxy)]bis[tributylstannane]
cas: 67701-37-5
dtxsid: DTXSID00886866
formula: C36H74O4Sn2
inchikey: CQHWKSNAXPLVEG-UHFFFAOYSA-L
norman_susdat_id: NS00056005
pubchem_cid: 16684100
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CC(C(=O)O[Sn](CCCC)(CCCC)CCCC)CCCCCCCC
inchi:
InChI=1/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC36H74O4Sn2/c1-8-15-22-23-24-25-26-34(36(38)40-42(30-19-12-5,31-20-13-6)32-21-14-7)33-35(37)39-41(27-16-9-2,28-17-10-3)29-18-11-4/h34H,8-33H2,1-7H3


name: Benzenamine, 4,4'-[(9-butyl-9H-carbazol-3-yl)methylene]bis[N-methyl-N-phenyl-
cas: 67707-04-4
chemspiderid: 143195
dtxsid: DTXSID5070573
formula: C43H41N3
inchikey: UMAFXEHJBLLIRG-UHFFFAOYSA-N
norman_susdat_id: NS00036165
pubchem_cid: 163148
smiles: CCCCn1c2c(cccc2)c2c1ccc(c2)C(c1ccc(cc1)N(C)c1ccccc1)c1ccc(cc1)N(C)c1ccccc1
inchi:
InChI=1S/C43H41N3/c1-4-5-30-46-41-19-13-12-18-39(41)40-31-34(24-29-42(40)46)43(32-20-25-37(26-21-32)44(2)35-14-8-6-9-15-35)33-22-27-38(28-23-33)45(3)36-16-10-7-11-17-36/h6-29,31,43H,4-5,30H2,1-3H3


cas: 6771-81-9
formula: C33H26N8O15S4
inchikey: PMXLIIKADOPOGL-UHFFFAOYSA-J
norman_susdat_id: NS00047903
pubchem_cid: NA
name:
Tetrasodium 4,4'-[carbonylbis(imino-4,1-phenyleneazo)]bis[3-amino-5-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C33H26N8O15S4.4Na/c34-29-25(59(51,52)53)11-15-9-21(57(45,46)47)13-23(42)27(15)31(29)40-38-19-5-1-17(2-6-19)36-33(44)37-18-3-7-20(8-4-18)39-41-32-28-16(12-26(30(32)35)60(54,55)56)10-22(14-24(28)43)58(48,49)50;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(N)=C(C=C3C=C(C=C(O)C32)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1)NC4=CC=C(N=NC=5C(N)=C(C=C6C=C(C=C(O)C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4


cas: 6771-82-0
formula: C39H30N8O15S4
inchikey: JRJCNERLGKHTBE-UHFFFAOYSA-J
norman_susdat_id: NS00046572
pubchem_cid: NA
name:
Tetrasodium 3-[[4-[[[[4-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-3-sulphonatophenyl]amino]carbonyl]amino]-2-sulphonatophenyl]azo]-4-hydroxy-7-(phenylamino)naphthalene-2-sulphonate

inchi:
InChI=1/C39H30N8O15S4.4Na/c40-28-11-6-20-15-26(63(51,52)53)19-31(48)35(20)36(28)46-44-29-12-8-24(17-32(29)64(54,55)56)42-39(50)43-25-9-13-30(33(18-25)65(57,58)59)45-47-37-34(66(60,61)62)16-21-14-23(7-10-27(21)38(37)49)41-22-4-2-1-3-5-22;;;;/h1-19,41,48-49H,40H2,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4C=CC=CC4)C(=C1)S(=O)(=O)[O-])NC5=CC=C(N=NC6=C(N)C=CC7=CC(=CC(O)=C76)S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-]


cas: 6771-94-4
dtxsid: DTXSID60889570
formula: C31H23N5O9S
inchikey: FVUOWKYUMVGOJA-UHFFFAOYSA-L
norman_susdat_id: NS00047274
pubchem_cid: NA
name:
Disodium 5-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]salicylate

inchi:
InChI=1/C31H23N5O9S.2Na/c32-19-5-1-16(2-6-19)29(39)33-21-9-11-23-18(13-21)14-26(46(43,44)45)27(28(23)38)36-35-20-7-3-17(4-8-20)30(40)34-22-10-12-25(37)24(15-22)31(41)42;;/h1-15,37-38H,32H2,(H,33,39)(H,34,40)(H,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)NC(=O)C2=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC(=O)C5=CC=C(N)C=C5)C=C2


name: Dilead silicate sulphate
cas: 67711-86-8
formula: O7Pb2SSi
inchikey: PRPHVBVKHUMTMP-UHFFFAOYSA-L
norman_susdat_id: NS00088153
smiles: [Pb+2].[Pb+2].[O-][Si](=O)[O-].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/H2O4S.O3Si.2Pb.4H/c1-5(2,3)4;1-4(2)3;;;;;;/h(H2,1,2,3,4);;;;;;;/q;-2;2*+4;;;;/p-2/rH2O4S.O3Si.2H2Pb/c1-5(2,3)4;1-4(2)3;;/h(H2,1,2,3,4);;2*1H2/q;-2;2*+4/p-2


cas: 67727-74-6
dtxsid: DTXSID20508972
formula: C15H4BrF17O3
inchikey: ZZUHWLUVQQXPAI-UHFFFAOYSA-N
norman_susdat_id: NS00109531
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)C1=CC=C(Br)C=C1)C(F)(F)F
name:
1-(4-Bromophenyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propan-1-one

inchi:
InChI=1S/C15H4BrF17O3/c16-6-3-1-5(2-4-6)7(34)8(17,11(21,22)23)35-15(32,33)10(20,13(27,28)29)36-14(30,31)9(18,19)12(24,25)26/h1-4H


name: N-(4-Amino-2-chlorophenyl)-1-hydroxynaphthalene-2-carboxamide
cas: 67728-26-1
chemspiderid: 89096
dtxsid: DTXSID60218008
formula: C17H13Cl1N2O2
inchikey: WCILLABDKIZPNK-UHFFFAOYSA-N
norman_susdat_id: NS00036167
pubchem_cid: 98653
smiles: Nc1cc(Cl)c(NC(=O)c2ccc3ccccc3c2O)cc1
inchi:
InChI=1S/C17H13ClN2O2/c18-14-9-11(19)6-8-15(14)20-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,19H2,(H,20,22)


name: TG-100115
cas: 677297-51-7
chebiid: CHEBI:94691
dtxsid: DTXSID20218009
formula: C18H14N6O2
inchikey: UJIAQDJKSXQLIT-UHFFFAOYSA-N
norman_susdat_id: NS00070347
pubchem_cid: 10427712
smiles: Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1
inchi:
InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)


name: Facinicline
cas: 677306-35-3
dtxsid: DTXSID90218011
formula: C15H18N4O
inchikey: TXCYUSKWBHUVEP-CYBMUJFWSA-N
norman_susdat_id: NS00072048
pubchem_cid: 9970357
smiles: O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12
inchi:
InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Nonadecafluorohenicosane
cas: 677324-20-8
dtxsid: DTXSID20895374
formula: C21H25F19
inchikey: CNVVZDDARHANKR-UHFFFAOYSA-N
norman_susdat_id: NS00109675
smiles: CCCCCCCCCCCCC(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/C21H25F19/c1-2-3-4-5-6-7-8-9-10-11-12-13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)40/h2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Tricosafluorotricosane
cas: 677324-21-9
dtxsid: DTXSID80895375
formula: C23H25F23
inchikey: ZGZDVAOEZGHLSU-UHFFFAOYSA-N
norman_susdat_id: NS00111730
smiles: CCCCCCCCCCCCC(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
inchi:
InChI=1S/C23H25F23/c1-2-3-4-5-6-7-8-9-10-11-12-13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)22(42,43)23(44,45)46/h2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-Heptacosafluoropentacosane
cas: 677324-22-0
dtxsid: DTXSID90895447
formula: C25H25F27
inchikey: MMAZMULOSQZKJE-UHFFFAOYSA-N
norman_susdat_id: NS00112090
inchi:
InChI=1S/C25H25F27/c1-2-3-4-5-6-7-8-9-10-11-12-13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)24(48,49)25(50,51)52/h2-12H2,1H3

smiles:
CCCCCCCCCCCCC(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


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohenicosane
cas: 677324-30-0
dtxsid: DTXSID60895398
formula: C21H19F25
inchikey: RQMJRNGTYOKIPQ-UHFFFAOYSA-N
norman_susdat_id: NS00111039
smiles: CCCCCCCCCC(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
inchi:
InChI=1S/C21H19F25/c1-2-3-4-5-6-7-8-9-10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)20(42,43)21(44,45)46/h2-9H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorotricosane
cas: 677324-31-1
dtxsid: DTXSID20895399
formula: C23H23F25
inchikey: RTCMPAJWKUGKPP-UHFFFAOYSA-N
norman_susdat_id: NS00109677
smiles: CCCCCCCCCCCC(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
inchi:
InChI=1S/C23H23F25/c1-2-3-4-5-6-7-8-9-10-11-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h2-11H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorononacosane
cas: 677324-32-2
dtxsid: DTXSID50895448
formula: C29H35F25
inchikey: AIHVYRVVEYXPSZ-UHFFFAOYSA-N
norman_susdat_id: NS00110712
inchi:
InChI=1S/C29H35F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)26(46,47)27(48,49)28(50,51)29(52,53)54/h2-17H2,1H3

smiles:
CCCCCCCCCCCCCCCCCC(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


name: 1-Penten-3-ol, 2-methyl-1-(methylbicyclo[2.2.1]hept-5-en-2-yl)-
cas: 67739-11-1
chemspiderid: 4941817
formula: C14H22O1
inchikey: RZXAQFGBENAOAJ-CSKARUKUSA-N
norman_susdat_id: NS00036169
pubchem_cid: 6437247
smiles: C[C@@]1([C@@H]2C=C[C@@H](C1)C2)C=C([C@@H](O)CC)C
inchi:
InChI=1S/C14H22O/c1-4-13(15)10(2)8-14(3)9-11-5-6-12(14)7-11/h5-6,8,11-13,15H,4,7,9H2,1-3H3/b10-8+/t11?,12?,13-,14+/m0/s1


name: Prochloraz
cas: 67747-09-5
chebiid: CHEBI:8434
chemspiderid: 66316
dtxsid: DTXSID4024270
formula: C15H16Cl3N3O2
inchikey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
norman_susdat_id: NS00010885
pubchem_cid: 73665
smiles: CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1
eea_notation: CAS_67747-09-5
inchi:
InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3


name: Octaverine hydrochloride
cas: 6775-26-4
formula: C23H27NO5.ClH
inchikey: PWPKPIKBAPBKRA-UHFFFAOYSA-N
norman_susdat_id: NS00082915
smiles: Cl.CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23
inchi:
InChI=1/C23H27NO5.ClH/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22;/h9-14H,6-8H2,1-5H3;1H


cas: 67754-22-7
dtxsid: DTXSID60987080
formula: C20H32O12
inchikey: VZVWNXVAXMKIBP-UHFFFAOYSA-N
norman_susdat_id: NS00055261
pubchem_cid: 53423506
smiles: O=C(OCC(CO)(COC(=O)C)COCC(COC(=O)C)(COC(=O)C)COC(=O)C)C
name:
2-[[3-(acetoxy)-2-[(acetoxy)methyl]-2-(hydroxymethyl)propoxy]methyl]-2-[(acetoxy)methyl]propane-1,3-diyl diacetate

inchi:
InChI=1/C20H32O12/c1-14(22)28-9-19(6-21,10-29-15(2)23)7-27-8-20(11-30-16(3)24,12-31-17(4)25)13-32-18(5)26/h21H,6-13H2,1-5H3


name: 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)propane-1,3-diyl] tetraacetate
cas: 67759-33-5
dtxsid: DTXSID80987087
formula: C18H30O11
inchikey: ICOIDKBIUHEORD-UHFFFAOYSA-N
norman_susdat_id: NS00056139
pubchem_cid: 56843634
smiles: O=C(OCC(CO)(COC(=O)C)COCC(CO)(COC(=O)C)COC(=O)C)C
inchi:
InChI=1/C18H30O11/c1-13(21)26-9-17(5-19,10-27-14(2)22)7-25-8-18(6-20,11-28-15(3)23)12-29-16(4)24/h19-20H,5-12H2,1-4H3


cas: 67762-85-0
dtxsid: DTXSID1095872
norman_susdat_id: NS00113385
name:
POLYSILOXANES, DIMETHYL, 3-HYDROXYPROPYLMETHYL, ETHERS WITH POLYETHYLENE-POLYPROPYLENE GLYCOL MONOMETHYL ETHER


name: 2-ethylhexyl dihydrogen phosphate, compound with tert-dodecylamine
cas: 67763-14-8
formula: C12H27N.xC8H19O4P
inchikey: HXIYQRSWUCAMDF-UHFFFAOYSA-N
norman_susdat_id: NS00087803
smiles: CCCCC(CC)COP(=O)(O)O.CC(C)(C)CCCCCCCCN
inchi:
InChI=1/C12H27N.C8H19O4P/c1-12(2,3)10-8-6-4-5-7-9-11-13;1-3-5-6-8(4-2)7-12-13(9,10)11/h4-11,13H2,1-3H3;8H,3-7H2,1-2H3,(H2,9,10,11)


name: Butanedioic acid, 2-hydroxy-, 1,4-bis(16-methylheptadecyl) ester
cas: 67763-18-2
chemspiderid: 72517
dtxsid: DTXSID30867325
formula: C40H78O5
inchikey: HGKOWIQVWAQWDS-UHFFFAOYSA-N
norman_susdat_id: NS00013589
pubchem_cid: 80276
smiles: CC(C)CCCCCCCCCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C40H78O5/c1-36(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-44-39(42)35-38(41)40(43)45-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-37(3)4/h36-38,41H,5-35H2,1-4H3


name: 2,2-bis(hydroxymethyl)propane-1,3-diyl bisheptanoate
cas: 67763-19-3
dtxsid: DTXSID30987097
formula: C19H36O6
inchikey: OMAIADOUFDGXKC-UHFFFAOYSA-N
norman_susdat_id: NS00056188
pubchem_cid: 105582
smiles: O=C(OCC(CO)(CO)COC(=O)CCCCCC)CCCCCC
inchi:
InChI=1/C19H36O6/c1-3-5-7-9-11-17(22)24-15-19(13-20,14-21)16-25-18(23)12-10-8-6-4-2/h20-21H,3-16H2,1-2H3


name: Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-methylphenolate) S,S-dioxide
cas: 67763-22-8
formula: C21H18O5S.Na
inchikey: ALWHNCXHKCVHCK-UHFFFAOYSA-L
norman_susdat_id: NS00088214
smiles: [Na+].Cc1cc([O-])ccc1C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4C
inchi:
InChI=1/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-2


name: 2-chloro-4-(diethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 67763-26-2
dtxsid: DTXSID50987099
formula: C10H13ClN3
inchikey: WEWRLBQDAGWPJO-UHFFFAOYSA-J
norman_susdat_id: NS00054828
pubchem_cid: 105585
smiles: N#[N+]C1=CC=C(C=C1Cl)N(CC)CC.N#[N+]C1=CC=C(C=C1Cl)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H13ClN3.4ClH.Zn/c2*1-3-14(4-2)8-5-6-10(13-12)9(11)7-8;;;;;/h2*5-7H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H13ClN3.Cl4Zn/c2*1-3-14(4-2)8-5-6-10(13-12)9(11)7-8;1-5(2,3)4/h2*5-7H,3-4H2,1-2H3;/q2*+1;-2


cas: 67763-91-1
dtxsid: DTXSID40218026
formula: C17H15Cl2N3O7S
inchikey: GGPBSYNZYHEHSG-MIRNQTQTSA-M
norman_susdat_id: NS00054843
pubchem_cid: NA
smiles: [Na+].O=C([O-])C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CN3C=C(Cl)C(=O)C(Cl)=C3
name:
Sodium (6R-trans)-3-(acetoxymethyl)-7-[(3,5-dichloro-4-oxo-1(4H)-pyridyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1


cas: 67769-47-5
chebiid: CHEBI:52106
dtxsid: DTXSID6040167
formula: C13H11N5O9S2
inchikey: RPKCZJYDUKVMGF-UHFFFAOYSA-L
norman_susdat_id: NS00055207
pubchem_cid: 93368
smiles: [Li+].[Li+].O=C(NN)NN1C(=O)C2=CC(=CC3=C(N)C(=CC(C1=O)=C23)S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Dilithium 6-amino-2-[(hydrazinocarbonyl)amino]-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5,8-disulphonate

inchi:
InChI=1/C13H11N5O9S2.2Li/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 4-[bis(benzyl)amino]-2-ethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 67785-34-6
dtxsid: DTXSID90987119
formula: C22H22N3O
inchikey: LGCVBACCPMHKCV-UHFFFAOYSA-J
norman_susdat_id: NS00055208
pubchem_cid: 105587
inchi:
InChI=1/2C22H22N3O.4ClH.Zn/c2*1-2-26-22-15-20(13-14-21(22)24-23)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;;/h2*3-15H,2,16-17H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H22N3O.Cl4Zn/c2*1-2-26-22-15-20(13-14-21(22)24-23)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3;/q2*+1;-2

smiles:
N#[N+]C1=CC=C(C=C1OCC)N(CC=2C=CC=CC2)CC=3C=CC=CC3.N#[N+]C1=CC=C(C=C1OCC)N(CC=2C=CC=CC2)CC=3C=CC=CC3.Cl[Zn-2](Cl)(Cl)Cl


name: [2-[bis[(3,7-dimethyl-2,6-octadienyl)oxy]methyl]-1-heptenyl]benzene
cas: 67785-69-7
dtxsid: DTXSID9070581
formula: C34H52O2
inchikey: OAUIRXVDLGQWKJ-UHFFFAOYSA-N
norman_susdat_id: NS00055308
pubchem_cid: 105590
smiles: O(CC=C(C)CCC=C(C)C)C(OCC=C(C)CCC=C(C)C)C(=CC=1C=CC=CC1)CCCCC
inchi:
InChI=1/C34H52O2/c1-8-9-11-22-33(27-32-20-12-10-13-21-32)34(35-25-23-30(6)18-14-16-28(2)3)36-26-24-31(7)19-15-17-29(4)5/h10,12-13,16-17,20-21,23-24,27,34H,8-9,11,14-15,18-19,22,25-26H2,1-7H3


name: [2-[bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]methyl]-1-heptenyl]benzene
cas: 67785-71-1
dtxsid: DTXSID60886882
formula: C34H52O2
inchikey: HIPTUWNAJGCQAY-UHFFFAOYSA-N
norman_susdat_id: NS00055209
pubchem_cid: 106792
smiles: O(C(OC(C=C)(C)CCC=C(C)C)C(=CC=1C=CC=CC1)CCCCC)C(C=C)(C)CCC=C(C)C
inchi:
InChI=1/C34H52O2/c1-10-13-15-24-31(27-30-22-16-14-17-23-30)32(35-33(8,11-2)25-18-20-28(4)5)36-34(9,12-3)26-19-21-29(6)7/h11-12,14,16-17,20-23,27,32H,2-3,10,13,15,18-19,24-26H2,1,4-9H3


name: 1,6,8,12-Tetradecatetraen-5-one, 9,13-dimethyl-
cas: 67785-75-5
chemspiderid: 4945332
dtxsid: DTXSID9070585
formula: C16H24O1
inchikey: ZKCRJFSZWKAJGA-UHFFFAOYSA-N
norman_susdat_id: NS00036174
pubchem_cid: 163150
smiles: CC(=CCC/C(=C/C=C/C(=O)CCC=C)/C)C
inchi:
InChI=1S/C16H24O/c1-5-6-12-16(17)13-8-11-15(4)10-7-9-14(2)3/h5,8-9,11,13H,1,6-7,10,12H2,2-4H3/b13-8+,15-11+


name: Heptadec-2-enyl-4,5-dihydro-1H-imidazole-1-ethanol hydrochloride
cas: 67785-79-9
dtxsid: DTXSID4070588
formula: C75H136N2O
inchikey: SVHFALXAGUGUJN-UHFFFAOYSA-N
norman_susdat_id: NS00054844
pubchem_cid: NA
inchi:
InChI=1/C75H136N2O.ClH/c1-8-15-22-29-36-43-50-57-64-72-76-74(67-60-53-46-39-32-25-18-11-4,68-61-54-47-40-33-26-19-12-5)75(69-62-55-48-41-34-27-20-13-6,70-63-56-49-42-35-28-21-14-7)77(72)71-73(78,65-58-51-44-37-30-23-16-9-2)66-59-52-45-38-31-24-17-10-3;/h50-63,78H,8-49,64-71H2,1-7H3;1H

smiles:
Cl.OC(CC=CCCCCCCC)(CC=CCCCCCCC)CN1C(=NC(CC=CCCCCCCC)(CC=CCCCCCCC)C1(CC=CCCCCCCC)CC=CCCCCCCC)CC=CCCCCCCC


name: Dipotassium (R)-12-(sulphonatooxy)oleate
cas: 67785-93-7
formula: C18H34O6S.2K
inchikey: MLXJANQMZFAJBH-GKKIQAINSA-L
norman_susdat_id: NS00087784
smiles: [K+].[K+].CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-]
inchi:
InChI=1/C18H34O6S.2K/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: (9Z,9'Z)-N,N'-[Iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bisoctadec-9-enamide
cas: 67785-94-8
chemspiderid: 21162376
dtxsid: DTXSID2052368
formula: C44H87N5O2
inchikey: KYVMYYMBMFHFLN-CLFAGFIQSA-N
norman_susdat_id: NS00036175
pubchem_cid: 56841257
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C44H87N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51)/b19-17+,20-18+


name: (Z)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-9-octadecenamide
cas: 67785-95-9
formula: C24H48N2O2
inchikey: KLQRKYZWLSWRCA-QXMHVHEDSA-N
norman_susdat_id: NS00055248
pubchem_cid: 6437126
smiles: O=C(NCCN(CC)CCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H48N2O2/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/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28)


name: Ethyl(2-hydroxyethyl)[2-(oleoylamino)ethyl]ammonium ethyl sulphate
cas: 67785-96-0
formula: C24H48N2O2.C2H6O4S
inchikey: XTKIHDZTSWEJCX-AFEZEDKISA-N
norman_susdat_id: NS00088239
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)NCC[NH+](CC)CCO.CCOS(=O)(=O)[O-]
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/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)


name: Decaammonium [[bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methyl]phosphonate
cas: 67785-99-3
formula: C9H28N3O15P5.10H3N
inchikey: NOPBMTCRKASJLK-UHFFFAOYSA-N
norman_susdat_id: NS00088249
inchi:
InChI=1/C9H28N3O15P5.10H3N/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);10*1H3

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


name: (Z)-3-ethyl-2-heptadec-8-enyl-1-(2-hydroxyethyl)imidazolidinium ethyl sulphate
cas: 67786-02-1
formula: C24H48N2O.C2H6O4S
inchikey: ARBCCVBLRJCUPO-AFEZEDKISA-N
norman_susdat_id: NS00087837
smiles: CCCCCCCC\C=C/CCCCCCCC1N(CC)CC[NH+]1CCO.CCOS(=O)(=O)[O-]
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/h11-12,24,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 2,2'-[[o-(oxiranylmethoxy)benzylidene]bis(p-phenyleneoxymethylene)]bisoxirane
cas: 67786-03-2
formula: C28H28O6
inchikey: KRHGLLRSPLUIHI-UHFFFAOYSA-N
norman_susdat_id: NS00056244
pubchem_cid: 3033861
smiles: O(C1=CC=C(C=C1)C(C2=CC=C(OCC3OC3)C=C2)C=4C=CC=CC4OCC5OC5)CC6OC6
inchi:
InChI=1/C28H28O6/c1-2-4-27(34-18-25-17-33-25)26(3-1)28(19-5-9-21(10-6-19)29-13-23-15-31-23)20-7-11-22(12-8-20)30-14-24-16-32-24/h1-12,23-25,28H,13-18H2


cas: 67786-04-3
formula: C24H48N2O3
norman_susdat_id: NS00101839
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


cas: 67786-07-6
dtxsid: DTXSID80889810
formula: C22H17N6O12S3
inchikey: BBZIESZOMSQAAG-UHFFFAOYSA-K
norman_susdat_id: NS00054895
pubchem_cid: 135666445
name:
Trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(3-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H16N6O12S3.3Na/c23-19-18-11(8-16(42(35,36)37)20(19)26-24-12-4-6-14(7-5-12)28(30)31)9-17(43(38,39)40)21(22(18)29)27-25-13-2-1-3-15(10-13)41(32,33)34;;;/h1-10,29H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Acid Red 337
cas: 67786-14-5
chemspiderid: 4588610
dtxsid: DTXSID2044713
formula: C17H12F3N3O4S1
inchikey: ZJKLNUHASXGERK-PGCQSHBKSA-M
norman_susdat_id: NS00020691
pubchem_cid: NA
smiles: [Na+].[O-]S(=O)(=O)C1=CC(=O)C2=C(NNc3ccccc3C(F)(F)F)C(=N)C=CC2=C1
inchi:
InChI=1S/C17H12F3N3O4S/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16/h1-8,21-23H,(H,25,26,27)/b21-12-


name: Sodium 3-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-4-methoxybenzenesulphonate
cas: 67786-15-6
dtxsid: DTXSID3070595
formula: C19H17N6O8S
inchikey: RRIXZCUININRSR-UHFFFAOYSA-M
norman_susdat_id: NS00054896
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=CC=C(N=NC3=CC(=CC=C3OC)S(=O)(=O)[O-])C2O)C=C1N
inchi:
InChI=1/C19H16N6O8S.Na/c1-33-17-7-3-11(34(30,31)32)9-14(17)23-22-13-4-6-16(26)18(19(13)27)24-21-10-2-5-15(25(28)29)12(20)8-10;/h2-9,26-27H,20H2,1H3,(H,30,31,32);/q;+1/p-1


name: Sodium 7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulphonate
cas: 67786-17-8
formula: C17H14N2O5S.Na
inchikey: UOUSHAPCJFJPJC-UHFFFAOYSA-M
norman_susdat_id: NS00087556
smiles: [Na+].Nc1ccc(cc1)C(=O)Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-]
inchi:
InChI=1/C17H14N2O5S.Na/c18-12-3-1-10(2-4-12)17(21)19-13-5-6-15-11(7-13)8-14(9-16(15)20)25(22,23)24;/h1-9,20H,18H2,(H,19,21)(H,22,23,24);/q;+1/p-1


name: Disodium 7-[[4-[(4-amino-o-tolyl)azo]phenyl]azo]naphthalene-1,3-disulphonate
cas: 67786-18-9
dtxsid: DTXSID40889811
formula: C23H19N5O6S2
inchikey: COHFAALKNDFMQZ-UHFFFAOYSA-L
norman_susdat_id: NS00055249
pubchem_cid: 105611
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(N)C=C4C)C=C3)C=C2C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C23H19N5O6S2.2Na/c1-14-10-16(24)3-9-22(14)28-26-18-7-5-17(6-8-18)25-27-19-4-2-15-11-20(35(29,30)31)13-23(21(15)12-19)36(32,33)34;;/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


cas: 67786-23-6
dtxsid: DTXSID30889860
formula: C34H24N11O16S2
inchikey: ISORXBGSVPSTPO-UHFFFAOYSA-L
norman_susdat_id: NS00055250
pubchem_cid: NA
name:
Disodium 5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H21N11O16S2.2Na/c46-27-10-9-21(45(54)55)13-23(27)37-42-31-32(47)25(39-35-17-1-5-19(6-2-17)43(50)51)15-26(33(31)48)40-38-24-14-22(62(56,57)58)11-16-12-28(63(59,60)61)30(34(49)29(16)24)41-36-18-3-7-20(8-4-18)44(52)53;;/h1-15,46-49H,(H,56,57,58)(H,59,60,61);;/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=NC5=CC=C(C=C5)[N+](=O)[O-])C(O)=C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C(N=NC6=CC(=CC=C6O)[N+](=O)[O-])C2O)C=C1


name: Sodium 6-amino-5-[(2,5-dichlorophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 67786-24-7
dtxsid: DTXSID0070601
formula: C16H11Cl2N3O4S
inchikey: LGWUKZYAVWSXMP-UHFFFAOYSA-M
norman_susdat_id: NS00055251
pubchem_cid: 105619
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC(Cl)=CC=C3Cl)=C1
inchi:
InChI=1/C16H11Cl2N3O4S.Na/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;/h1-7,22H,19H2,(H,23,24,25);/q;+1/p-1


cas: 67786-25-8
inchikey: NTHKAJBKFNFLHL-UHFFFAOYSA-J
norman_susdat_id: NS00078406
name:
tetrasodium 4,4'-bis[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-stilbene-2,2'-disulphonate

smiles:
[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(cc2)S([O-])(=O)=O)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccc(cc5)S([O-])(=O)=O)nc(n4)N(CC(C)O)CC(C)O)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)n1


name: Sodium 2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate
cas: 67786-26-9
formula: C17H14N4O3.Na
inchikey: MXURDMXONBJEAE-UHFFFAOYSA-M
norman_susdat_id: NS00088250
smiles: [Na+].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccccc1)C2=O
inchi:
InChI=1/C17H14N4O3.Na/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2-10,15H,1H3,(H,23,24);/q;+1/p-1


name: 7,8-Dihydrobiopterin
cas: 6779-87-9
chebiid: CHEBI:64277
chemspiderid: 247
formula: C9H13N5O3
inchikey: FEMXZDUTFRTWPE-UHFFFAOYSA-N
norman_susdat_id: NS00015006
pubchem_cid: 252
smiles: CC(C(C1=NC2=C(NC1)NC(=NC2=O)N)O)O
inchi:
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)


name: Isooctadecanamide, N-[3-(dimethylamino)propyl]-
cas: 67799-04-6
chemspiderid: 95225
dtxsid: DTXSID5070602
formula: C23H48N2O1
inchikey: NZXVYLJKFYSEPO-UHFFFAOYSA-N
norman_susdat_id: NS00013794
pubchem_cid: 105621
smiles: CC(C)CCCCCCCCCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1S/C23H48N2O/c1-22(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23(26)24-20-17-21-25(3)4/h22H,5-21H2,1-4H3,(H,24,26)


name: 8:2 Fluorotelomer alcohol
cas: 678-39-7
chebiid: CHEBI:63919
chemspiderid: 62822
dtxsid: DTXSID7029904
formula: C10H5F17O1
inchikey: JJUBFBTUBACDHW-UHFFFAOYSA-N
norman_susdat_id: NS00010921
pubchem_cid: 69619
smiles: 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)CO
inchi:
InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2


name: 8:2 Fluorotelomer phosphate diester
cas: 678-41-1
chebiid: CHEBI:83540
chemspiderid: 2288808
dtxsid: DTXSID90218051
formula: C20H9F34O4P1
inchikey: AFWOYEYXUDHGHF-UHFFFAOYSA-N
norman_susdat_id: NS00000430
pubchem_cid: 3022253
inchi:
InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)

smiles:
FC(F)(CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Perfluorosuberic acid
cas: 678-45-5
chemspiderid: 2015071
dtxsid: DTXSID00369821
formula: C8H2F12O4
inchikey: QYCPVKMFWNBDPV-UHFFFAOYSA-N
norman_susdat_id: NS00019193
pubchem_cid: 2733268
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)=O
inchi:
InChI=1S/C8H2F12O4/c9-3(10,1(21)22)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)


name: bis((Perfluoropropyl)methyl) phosphorochloridoate
cas: 6780-81-0
dtxsid: DTXSID10896991
formula: C8H4ClF14O3P
inchikey: BBXKVTNUHGNTHE-UHFFFAOYSA-N
norman_susdat_id: NS00109456
smiles: FC(F)(F)C(F)(F)C(F)(F)COP(Cl)(=O)OCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H4ClF14O3P/c9-27(24,25-1-3(10,11)5(14,15)7(18,19)20)26-2-4(12,13)6(16,17)8(21,22)23/h1-2H2


name: Benzoic acid, 2-[(2-pentyl-2-nonenylidene)amino]-, methyl ester
cas: 67800-79-7
chemspiderid: 4941711
dtxsid: DTXSID0070603
formula: C22H33N1O2
inchikey: IAHAHMKOSPDZNQ-UHFFFAOYSA-N
norman_susdat_id: NS00036177
pubchem_cid: 105622
smiles: CCCCCC/C=C(/CCCCC)C=Nc1ccccc1C(=O)OC
inchi:
InChI=1S/C22H33NO2/c1-4-6-8-9-11-15-19(14-10-7-5-2)18-23-21-17-13-12-16-20(21)22(24)25-3/h12-13,15-18H,4-11,14H2,1-3H3/b19-15-,23-18+


name: Benzoic acid, 2-[(2-methylundecylidene)amino]-, methyl ester
cas: 67800-80-0
chemspiderid: 96118
dtxsid: DTXSID40867331
formula: C20H31N1O2
inchikey: JOJBHOQXBDBUST-LTGZKZEYSA-N
norman_susdat_id: NS00012932
pubchem_cid: NA
smiles: CCCCCCCCCC(C)C=Nc1ccccc1C(=O)OC
inchi:
InChI=1S/C20H31NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-17H,4-10,13H2,1-3H3


name: Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate
cas: 67800-81-1
dtxsid: DTXSID00867332
formula: C17H28O2
inchikey: DITDUMQEBPPYLV-UHFFFAOYSA-N
norman_susdat_id: NS00054898
pubchem_cid: 106800
smiles: O=C(OC1CC23CC(C1C)C(C)(C)C3CCC2C)C
inchi:
InChI=1/C17H28O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10-11,13-15H,6-9H2,1-5H3


name: 2-[(4-methoxyphenyl)methylene]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
cas: 67800-84-4
dtxsid: DTXSID80886889
formula: C18H22O2
inchikey: FUCFYAOLAKHLBH-UHFFFAOYSA-N
norman_susdat_id: NS00055254
pubchem_cid: 106803
smiles: O=C1C(=CC2=CC=C(OC)C=C2)C3(CC3C1C)C(C)C
inchi:
InChI=1/C18H22O2/c1-11(2)18-10-16(18)12(3)17(19)15(18)9-13-5-7-14(20-4)8-6-13/h5-9,11-12,16H,10H2,1-4H3


name: 1-ethyl-2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-6-methoxyquinolinium bromide
cas: 67800-88-8
formula: C23H25N2O2Se.Br
inchikey: FTKIIGBHQNSFNF-UHFFFAOYSA-M
norman_susdat_id: NS00088252
smiles: [Br-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC
inchi:
InChI=1/C23H25N2O2Se.BrH/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23;/h7-15H,5-6H2,1-4H3;1H/q+1;/p-1


cas: 67800-90-2
dtxsid: DTXSID10886892
formula: C34H43ClN4O
inchikey: RXMDZRVBDBWJKZ-UHFFFAOYSA-L
norman_susdat_id: NS00055277
pubchem_cid: NA
name:
2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethylnaphth[1,2-d]oxazolium diperchlorate

inchi:
InChI=1/C34H43ClN4O.2ClHO4/c1-6-36-30-25-27(35)20-21-29(30)38(23-14-24-39(8-3,9-4)10-5)32(36)17-13-18-33-37(7-2)34-28-16-12-11-15-26(28)19-22-31(34)40-33;2*2-1(3,4)5/h11-13,15-22,25H,6-10,14,23-24H2,1-5H3;2*(H,2,3,4,5)/q+2;;/p-2

smiles:
O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].ClC1=CC=C2C(=C1)N(C(=CC=CC=3OC4=CC=C5C=CC=CC5=C4[N+]3CC)N2CCC[N+](CC)(CC)CC)CC


name: Ethyl 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium sulphate
cas: 67800-91-3
formula: C22H23N2S2.C2H5O4S
inchikey: ORGLOPDBXCEQCS-UHFFFAOYSA-M
norman_susdat_id: NS00087838
smiles: [O-]S(=O)(=O)OCC.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC
inchi:
InChI=1/C22H23N2S2.C2H6O4S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-2-6-7(3,4)5/h6-15H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Barium bis[5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate]
cas: 67801-01-8
dtxsid: DTXSID0070607
formula: C18H15ClN2O4S
inchikey: XUDYBFMSKKDOQA-UHFFFAOYSA-L
norman_susdat_id: NS00053066
pubchem_cid: 105634
inchi:
InChI=1/2C18H15ClN2O4S.Ba/c2*1-2-11-9-15(17(10-14(11)19)26(23,24)25)20-21-18-13-6-4-3-5-12(13)7-8-16(18)22;/h2*3-10,22H,2H2,1H3,(H,23,24,25);/q;;+2/p-2

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


name: Calcium bis[6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonate]
cas: 67801-02-9
dtxsid: DTXSID5070608
formula: C17H13ClN2O4S
inchikey: FEMQUTBNUMVBBI-UHFFFAOYSA-L
norman_susdat_id: NS00054366
pubchem_cid: 22119
inchi:
InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

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


name: 4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid
cas: 67801-04-1
dtxsid: DTXSID70886893
formula: C16H19NO3S
inchikey: GEGYISULLZOCOD-UHFFFAOYSA-N
norman_susdat_id: NS00053531
pubchem_cid: 94926
smiles: O=S(=O)(O)C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C)CC
inchi:
InChI=1/C16H19NO3S/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)


name: 2-methoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 67801-08-5
dtxsid: DTXSID90987139
formula: C11H14N3O2
inchikey: UKEGNQLCNXRWNG-UHFFFAOYSA-J
norman_susdat_id: NS00054382
pubchem_cid: 105639
smiles: N#[N+]C1=CC=C(C=C1OC)N2CCOCC2.N#[N+]C1=CC=C(C=C1OC)N2CCOCC2.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H14N3O2.4ClH.Zn/c2*1-15-11-8-9(2-3-10(11)13-12)14-4-6-16-7-5-14;;;;;/h2*2-3,8H,4-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3O2.Cl4Zn/c2*1-15-11-8-9(2-3-10(11)13-12)14-4-6-16-7-5-14;1-5(2,3)4/h2*2-3,8H,4-7H2,1H3;/q2*+1;-2


name: Strontium 4-[(4-chloro-5-ethyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1)
cas: 67801-10-9
formula: C19H15ClN2O6S.Sr
inchikey: XSEPYNSCKLHZFD-UHFFFAOYSA-L
norman_susdat_id: NS00087265
smiles: [SrH2].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O
inchi:
InChI=1/C19H15ClN2O6S.Sr.2H/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;;;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);;;/q;+2;;/p-2/rC19H15ClN2O6S.H2Sr/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);1H2/q;+2/p-2


name: 1H-Indole, 1,1'-(3,7-dimethyl-6-octen-1-ylidene)bis-
cas: 67801-16-5
chemspiderid: 96122
dtxsid: DTXSID00867337
formula: C26H30N2
inchikey: RYWJPLGWOMDLNH-UHFFFAOYSA-N
norman_susdat_id: NS00012237
pubchem_cid: 106811
smiles: CC(CCC=C(C)C)CC(n1ccc2ccccc12)n3ccc4ccccc34
inchi:
InChI=1S/C26H30N2/c1-20(2)9-8-10-21(3)19-26(27-17-15-22-11-4-6-13-24(22)27)28-18-16-23-12-5-7-14-25(23)28/h4-7,9,11-18,21,26H,8,10,19H2,1-3H3


name: 1H-Indole-1-heptanol, .eta.-1H-indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-
cas: 67801-36-9
chemspiderid: 96129
dtxsid: DTXSID10867343
formula: C26H32N2O1
inchikey: YKLKFIPZNHLBMW-UHFFFAOYSA-N
norman_susdat_id: NS00012646
pubchem_cid: 106826
smiles: CC(CCCC(C)(C)O)CC(n1ccc2ccccc12)n3ccc4ccccc34
inchi:
InChI=1S/C26H32N2O/c1-20(9-8-16-26(2,3)29)19-25(27-17-14-21-10-4-6-12-23(21)27)28-18-15-22-11-5-7-13-24(22)28/h4-7,10-15,17-18,20,25,29H,8-9,16,19H2,1-3H3


name: 1H-Indole, 1,1'-(2-phenylethylidene)bis-
cas: 67801-37-0
chemspiderid: 95237
dtxsid: DTXSID4070617
formula: C24H20N2
inchikey: SJZKQJGANDJRDU-UHFFFAOYSA-N
norman_susdat_id: NS00013141
pubchem_cid: 105648
smiles: C(C(n1ccc2ccccc12)n3ccc4ccccc34)c5ccccc5
inchi:
InChI=1S/C24H20N2/c1-2-8-19(9-3-1)18-24(25-16-14-20-10-4-6-12-22(20)25)26-17-15-21-11-5-7-13-23(21)26/h1-17,24H,18H2


name: Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate
cas: 67801-47-2
chemspiderid: 4941720
dtxsid: DTXSID1052375
formula: C18H23N1O2
inchikey: JWXAUDGXBFALGZ-CAOIWOLBSA-N
norman_susdat_id: NS00012106
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CC=C(C)CCC=C(C)C
inchi:
InChI=1S/C18H23NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-13H,7,9H2,1-4H3/b15-12+,19-13?


name: Isononanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 67801-51-8
formula: C9H18O2.C6H15NO3
inchikey: CRXGWSUBJAEKGY-UHFFFAOYSA-N
norman_susdat_id: NS00086620
smiles: CC(C)CCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C9H18O2.C6H15NO3/c1-8(2)6-4-3-5-7-9(10)11;8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H,10,11);8-10H,1-6H2


name: 4,6-bis[[4-(phenylamino)phenyl]azo]resorcinol
cas: 67801-52-9
dtxsid: DTXSID8070621
formula: C30H24N6O2
inchikey: KHRLXDLDLKBFRP-UHFFFAOYSA-N
norman_susdat_id: NS00053623
pubchem_cid: 105654
smiles: OC=1C=C(O)C(N=NC2=CC=C(C=C2)NC=3C=CC=CC3)=CC1N=NC4=CC=C(C=C4)NC=5C=CC=CC5
inchi:
InChI=1/C30H24N6O2/c37-29-20-30(38)28(36-34-26-17-13-24(14-18-26)32-22-9-5-2-6-10-22)19-27(29)35-33-25-15-11-23(12-16-25)31-21-7-3-1-4-8-21/h1-20,31-32,37-38H


name: Cobalt hydrogen benzene-1,2,4-tricarboxylate
cas: 67801-57-4
formula: C9H6O6.Co
inchikey: JOXRXGHKYLJVBK-UHFFFAOYSA-K
norman_susdat_id: NS00086570
smiles: [Co+2].[O-]C(=O)c1ccc(C(=O)[O-])c(c1)C(=O)[O-]
inchi:
InChI=1/C9H6O6.Co/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-3


name: Dimethyl[3-(oleoylamino)propyl]ammonium propionate
cas: 67801-61-0
formula: C23H46N2O.C3H6O2
inchikey: HONKGNKLCZDPJO-AFEZEDKISA-N
norman_susdat_id: NS00086635
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[NH+](C)C.CCC(=O)[O-]
inchi:
InChI=1/C23H46N2O.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3(4)5/h11-12H,4-10,13-22H2,1-3H3,(H,24,26);2H2,1H3,(H,4,5)


name: Propionic acid, compound with N-[3-(dimethylamino)propyl]dodecanamide (1:1)
cas: 67801-62-1
formula: C17H36N2O.C3H6O2
inchikey: LKQLASJZBZROKO-UHFFFAOYSA-N
norman_susdat_id: NS00086295
smiles: CCCCCCCCCCCC(=O)NCCCN(C)C.CCC(=O)O
inchi:
InChI=1/C17H36N2O.C3H6O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2-3(4)5/h4-16H2,1-3H3,(H,18,20);2H2,1H3,(H,4,5)


name: 2,2-dimethyl-1,3-propanediyl bis(2-hexyldecanoate)
cas: 67801-67-6
dtxsid: DTXSID60987141
formula: C37H72O4
inchikey: GZDPBJOBIHEIJR-UHFFFAOYSA-N
norman_susdat_id: NS00054500
pubchem_cid: 106832
smiles: O=C(OCC(C)(C)COC(=O)C(CCCCCC)CCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/C37H72O4/c1-7-11-15-19-21-25-29-33(27-23-17-13-9-3)35(38)40-31-37(5,6)32-41-36(39)34(28-24-18-14-10-4)30-26-22-20-16-12-8-2/h33-34H,7-32H2,1-6H3


name: Disodium di-2-naphthylmethanedisulphonate
cas: 67801-68-7
dtxsid: DTXSID8070629
formula: C21H16O6S2
inchikey: UPUGCJSMZARLEL-UHFFFAOYSA-L
norman_susdat_id: NS00053688
pubchem_cid: 105665
smiles: [Na+].[Na+].O=S(=O)([O-])C(C=1C=CC=2C=CC=CC2C1)(C=3C=CC=4C=CC=CC4C3)S(=O)(=O)[O-]
inchi:
InChI=1/C21H16O6S2.2Na/c22-28(23,24)21(29(25,26)27,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20;;/h1-14H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 9-hydroxyoctadecyl docosanoate
cas: 67801-69-8
dtxsid: DTXSID20886909
formula: C40H80O3
inchikey: IGBQVHZKDCXCLW-UHFFFAOYSA-N
norman_susdat_id: NS00053610
pubchem_cid: 106833
smiles: O=C(OCCCCCCCCC(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H80O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-29-33-37-40(42)43-38-34-30-26-25-28-32-36-39(41)35-31-27-23-10-8-6-4-2/h39,41H,3-38H2,1-2H3


name: Tetradecanamide, N-[3-(dimethyloxidoamino)propyl]-
cas: 67806-10-4
chemspiderid: 58229
dtxsid: DTXSID5042453
formula: C19H40N2O2
inchikey: DKPKKUQZFWYBRB-UHFFFAOYSA-N
norman_susdat_id: NS00013874
pubchem_cid: 64680
smiles: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
inchi:
InChI=1S/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2,3)23/h4-18H2,1-3H3,(H,20,22)


name: Hexadecanamide, N-[3-(dimethyloxidoamino)propyl]-
cas: 67806-12-6
chemspiderid: 95252
dtxsid: DTXSID2070631
formula: C21H44N2O2
inchikey: PBWFDNJGWNCAPS-UHFFFAOYSA-N
norman_susdat_id: NS00013933
pubchem_cid: 105668
smiles: CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
inchi:
InChI=1S/C21H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2,3)25/h4-20H2,1-3H3,(H,22,24)


name: Sodium hydrogen 2-[(2-amino-5-hydroxy-7-sulphonato-1-naphthyl)azo]-5-nitrobenzoate
cas: 67815-66-1
formula: C17H12N4O8S.Na
inchikey: HXNKYOMYRHLTNN-UHFFFAOYSA-M
norman_susdat_id: NS00086668
smiles: [H+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O
inchi:
InChI=1/C17H12N4O8S.Na.H2/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;;/h1-7,22H,18H2,(H,23,24)(H,27,28,29);;1H/q;2*+1/p-2


name: Trisodium 7-aminonaphthalene-1,3,5-trisulphonate
cas: 67815-69-4
formula: C10H9NO9S3.3Na
inchikey: KOCPUFFMRLCYDL-UHFFFAOYSA-K
norman_susdat_id: NS00086669
smiles: [Na+].[Na+].[Na+].Nc1cc(c2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO9S3.3Na/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3


name: Disodium [2-oleoylamido-1-methylethyl]sulfosuccinate
cas: 67815-88-7
chemspiderid: 4941845
dtxsid: DTXSID90889861
formula: C25H45N1O8S1
inchikey: MGYNSFHFMQUQLF-ZHACJKMWSA-N
norman_susdat_id: NS00013626
pubchem_cid: 6437275
smiles: [Na+].[Na+].CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)OC(=O)CC(C([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/b11-10+;;


name: [1-methyl-2-[(1-oxo-9-octadecenyl)amino]ethyl] hydrogen maleate
cas: 67815-89-8
dtxsid: DTXSID90893625
formula: C25H43NO5
inchikey: BAMILFSYGWVQLH-MIZJHOCHSA-N
norman_susdat_id: NS00053690
pubchem_cid: 106838
smiles: O=C(O)C=CC(=O)OC(C)CNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-21-22(2)31-25(30)20-19-24(28)29/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3,(H,26,27)(H,28,29)


name: Sodium 1-[[[1-oxo-10-(sulphonatooxy)octadecyl]oxy]methyl]-1,2-ethanediyl dioleate
cas: 67815-90-1
formula: C57H106O10S
inchikey: RLFOMVDUCWAVPY-PBAYCENZSA-M
norman_susdat_id: NS00054503
pubchem_cid: 92041431
smiles: [Na+].O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C57H106O10S.Na/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-38-43-48-55(58)64-51-54(66-57(60)50-45-40-33-31-29-27-25-23-21-19-17-14-11-8-5-2)52-65-56(59)49-44-39-35-34-37-42-47-53(67-68(61,62)63)46-41-36-15-12-9-6-3;/h22-25,53-54H,4-21,26-52H2,1-3H3,(H,61,62,63);/q;+1/p-1


name: Ethyl dihydrogen phosphate, compound with 2-(2-octadecylimidazolidin-1-yl)ethyl carbamate (1:1)
cas: 67815-94-5
dtxsid: DTXSID50886912
formula: C24H49N3O2
inchikey: PBXWXOWOCSVRQD-UHFFFAOYSA-N
norman_susdat_id: NS00054532
pubchem_cid: 21118195
smiles: O=C(OCCN1CCNC1CCCCCCCCCCCCCCCCCC)N.O=P(O)(O)OCC
inchi:
InChI=1/C24H49N3O2.C2H7O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-19-20-27(23)21-22-29-24(25)28;1-2-6-7(3,4)5/h23,26H,2-22H2,1H3,(H2,25,28);2H2,1H3,(H2,3,4,5)


name: Sodium 1-(8-methylnonyl) 9-(sulphooxy)octadecanoate
cas: 67815-96-7
dtxsid: DTXSID50987150
formula: C28H56O6S
inchikey: GNBIPBCPWNLULT-UHFFFAOYSA-N
norman_susdat_id: NS00053691
pubchem_cid: 106843
smiles: [Na+].O=C(OCCCCCCCC(C)C)CCCCCCCC(OS(=O)(=O)O)CCCCCCCCC
inchi:
InChI=1/C28H56O6S.Na/c1-4-5-6-7-8-12-17-22-27(34-35(30,31)32)23-18-13-9-14-19-24-28(29)33-25-20-15-10-11-16-21-26(2)3;/h26-27H,4-25H2,1-3H3,(H,30,31,32);/q;+1


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-10-(trifluoromethyl)undecane-1,2-diol
cas: 67824-44-6
chemspiderid: 2285453
dtxsid: DTXSID20880568
formula: C12H7F19O2
inchikey: FYPAMSWJAKTIGA-UHFFFAOYSA-N
norman_susdat_id: NS00010922
pubchem_cid: 3017791
smiles: C(O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12H7F19O2/c13-4(14,1-3(33)2-32)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3,32-33H,1-2H2


name: Benzenepropanoic acid, 3,5-dimethoxy-.beta.-oxo-4-(phenylmethoxy)-, phenylmethyl ester
cas: 67827-52-5
chemspiderid: 95262
dtxsid: DTXSID6070641
formula: C25H24O6
inchikey: MZDVSWNINTYWCE-UHFFFAOYSA-N
norman_susdat_id: NS00036191
pubchem_cid: 105685
smiles: COc1cc(cc(OC)c1OCc1ccccc1)C(=O)CC(=O)OCc1ccccc1
inchi:
InChI=1S/C25H24O6/c1-28-22-13-20(21(26)15-24(27)30-16-18-9-5-3-6-10-18)14-23(29-2)25(22)31-17-19-11-7-4-8-12-19/h3-14H,15-17H2,1-2H3


name: 1,1,3,3-tetramethyl-1,3-bis[(1-oxododecyl)oxy]distannoxane
cas: 67827-58-1
formula: C28H58O5Sn2
inchikey: VAWAFWLZHMUXMD-UHFFFAOYSA-L
norman_susdat_id: NS00053612
pubchem_cid: 16684101
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCCCCC)(C)C)(C)C)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;;;;;/h2*2-11H2,1H3,(H,13,14);4*1H3;;;/q;;;;;;;2*+1/p-2/rC28H58O5Sn2/c1-7-9-11-13-15-17-19-21-23-25-27(29)31-34(3,4)33-35(5,6)32-28(30)26-24-22-20-18-16-14-12-10-8-2/h7-26H2,1-6H3


name: (Z,Z)-1,1,3,3-tetrabutyl-1,3-bis[(1-oxooctadec-9-enyl)oxy]distannoxane
cas: 67827-59-2
formula: C52H102O5Sn2
inchikey: KYKSFHCGJXUBOI-MNHRHIJMSA-L
norman_susdat_id: NS00053173
pubchem_cid: 20838811
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C18H34O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC52H102O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51(53)55-58(47-15-9-3,48-16-10-4)57-59(49-17-11-5,50-18-12-6)56-52(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h29-32H,7-28,33-50H2,1-6H3


cas: 67827-60-5
chemspiderid: 95267
dtxsid: DTXSID6070647
formula: C31H27N3O6S1
inchikey: OFHDOLUPOLKDSG-UHFFFAOYSA-M
norman_susdat_id: NS00020110
pubchem_cid: 102269070
smiles: [Na+].Cc1cc(C)c(CNC(=O)c2ccccc2)c(C)c1Nc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(c1)S(=O)(=O)[O-]
name:
2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt

inchi:
InChI=1S/C31H27N3O6S/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40)


cas: 67827-61-6
dtxsid: DTXSID10886913
formula: C39H34N4O7S
inchikey: QCTYVVWNINGBCP-UHFFFAOYSA-M
norman_susdat_id: NS00054533
pubchem_cid: 105694
name:
Sodium 1-amino-4-[[3,5-bis[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C39H34N4O7S.Na/c1-21-28(19-41-38(46)24-12-6-4-7-13-24)22(2)35(23(3)29(21)20-42-39(47)25-14-8-5-9-15-25)43-30-18-31(51(48,49)50)34(40)33-32(30)36(44)26-16-10-11-17-27(26)37(33)45;/h4-18,43H,19-20,40H2,1-3H3,(H,41,46)(H,42,47)(H,48,49,50);/q;+1/p-1

smiles:
[Na+].O=C(NCC1=C(C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])=C(C(=C1C)CNC(=O)C=5C=CC=CC5)C)C)C=6C=CC=CC6


name: 3,3'-[[4-[(2-chloro-4,6-dinitrophenyl)azo]naphthyl]imino]bispropane-1,2-diol
cas: 67827-62-7
formula: C22H24ClN5O8
inchikey: AIPKWLSKNQFYJL-UHFFFAOYSA-N
norman_susdat_id: NS00053174
pubchem_cid: 106846
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=3C=CC=CC23)N(CC(O)CO)CC(O)CO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H22ClN5O8/c23-18-7-13(27(33)34)8-21(28(35)36)22(18)25-24-19-5-6-20(17-4-2-1-3-16(17)19)26(9-14(31)11-29)10-15(32)12-30/h1-8,14-15,29-32H,9-12H2


cas: 67827-63-8
dtxsid: DTXSID70868573
formula: C34H29N11O6
inchikey: TYTTWEGYXSNOBA-UHFFFAOYSA-N
norman_susdat_id: NS00053175
pubchem_cid: 166522
name:
2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[3-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]benzoic acid

inchi:
InChI=1/C34H29N11O6/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)

smiles:
O=C(O)C1=CC(=CC=C1N=NC2C(=O)N(N=C2C)C3=CC=C(N)C=C3)NC(=O)C4=CC=C(O)C(N=NC5C(=O)N(N=C5C)C6=CC=C(N)C=C6)=C4


cas: 67827-64-9
dtxsid: DTXSID50889862
formula: C21H24ClN7O9S2
inchikey: CQAKGLGNTVIXJZ-UHFFFAOYSA-L
norman_susdat_id: NS00054534
pubchem_cid: NA
name:
Disodium 5-[[5-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate

inchi:
InChI=1/C21H24ClN7O9S2.2Na/c1-5-29-17(30)13(9-39(32,33)34)11(4)16(18(29)31)28-27-14-8-12(6-7-15(14)40(35,36)37)23-20-24-19(22)25-21(26-20)38-10(2)3;;/h6-8,10,31H,5,9H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,23,24,25,26);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C(=C(C(N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)OC(C)C)=C(O)N1CC)C)CS(=O)(=O)[O-]


cas: 67827-65-0
formula: C32H27Cl2N11O14S4
inchikey: PNSMLDDGZOBEEB-UHFFFAOYSA-J
norman_susdat_id: NS00053713
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, tetrasodium salt

inchi:
InChI=1/C32H27Cl2N11O14S4.4Na/c1-13(2)59-32-41-28(34)40-31(43-32)36-19-11-16(5-7-21(19)61(50,51)52)35-29-38-27(33)39-30(42-29)37-20-12-17(60(47,48)49)9-15-10-23(63(56,57)58)25(26(46)24(15)20)45-44-18-6-4-14(3)8-22(18)62(53,54)55;;;;/h4-13,46H,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,36,40,41,43)(H2,35,37,38,39,42);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])C)C(O)=C2C(=C1)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C(=C5)NC=6N=C(Cl)N=C(N6)OC(C)C)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: 3,7-diamino-2-methoxyphenoxazin-5-ium chloride
cas: 67827-66-1
dtxsid: DTXSID70886914
formula: C13H12N3O2
inchikey: SDJJSUWECZPOGV-UHFFFAOYSA-M
norman_susdat_id: NS00053734
pubchem_cid: NA
smiles: [Cl-].N1=C2C=CC(N)=CC2=[O+]C3=CC(N)=C(OC)C=C13
inchi:
InChI=1/C13H12N3O2.ClH/c1-17-11-6-10-13(5-8(11)15)18-12-4-7(14)2-3-9(12)16-10;/h2-6H,14-15H2,1H3;1H/q+1;/p-1


cas: 67827-67-2
dtxsid: DTXSID10889863
formula: C23H20Br4N4O9S2
inchikey: ZWWKJCHTKMXPTP-UHFFFAOYSA-L
norman_susdat_id: NS00053735
pubchem_cid: NA
name:
Disodium 3-[[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulphonatophenyl]azo]-7-[(2,3-dibromo-1-oxopropyl)methylamino]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C23H20Br4N4O9S2.2Na/c24-8-15(26)18(32)10-28-12-1-3-14-11(5-12)6-20(42(38,39)40)21(22(14)33)31-30-17-7-13(29-23(34)16(27)9-25)2-4-19(17)41(35,36)37;;/h1-7,15-16,28,33H,8-10H2,(H,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NCC(=O)C(Br)CBr)=C1)S(=O)(=O)[O-])C(Br)CBr


name: Sodium glycerol 2-sulphonatododecanoate
cas: 67827-90-1
dtxsid: DTXSID00987160
formula: C15H30O7S
inchikey: BOJBBQCYKGRZPD-UHFFFAOYSA-M
norman_susdat_id: NS00053658
pubchem_cid: NA
smiles: [Na+].O=C(OC(CO)CO)C(CCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C15H30O7S.Na/c1-2-3-4-5-6-7-8-9-10-14(23(19,20)21)15(18)22-13(11-16)12-17;/h13-14,16-17H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1


name: 2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-
cas: 67828-20-0
chemspiderid: 7850732
dtxsid: DTXSID5070652
formula: C25H19Cl1N4O5
inchikey: KYRHIHGLWNLWTO-UHFFFAOYSA-N
norman_susdat_id: NS00036194
pubchem_cid: NA
smiles: COc1c(NC(=O)C2=Cc3ccccc3/C(=N/Nc3c(C)ccc(c3)[N+](=O)[O-])/C2=O)cc(Cl)cc1
inchi:
InChI=1S/C25H19ClN4O5/c1-14-7-9-17(30(33)34)13-20(14)28-29-23-18-6-4-3-5-15(18)11-19(24(23)31)25(32)27-21-12-16(26)8-10-22(21)35-2/h3-13,28H,1-2H3,(H,27,32)/b29-23-


name: 2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-
cas: 67828-21-1
chemspiderid: 7850733
dtxsid: DTXSID0070653
formula: C25H19Cl1N4O6
inchikey: LBHPJEIHPAGFBM-UHFFFAOYSA-N
norman_susdat_id: NS00036195
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2c(OC)ccc(Cl)c2)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C25H19ClN4O6/c1-35-21-9-7-15(26)12-19(21)27-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)29-28-20-13-16(30(33)34)8-10-22(20)36-2/h3-13,28H,1-2H3,(H,27,32)/b29-23-


name: 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethoxyphenyl)-3-oxobutyramide]
cas: 67828-22-2
dtxsid: DTXSID90886916
formula: C36H34Cl2N6O8
inchikey: WFCJLCVNQRYFRP-UHFFFAOYSA-N
norman_susdat_id: NS00053749
pubchem_cid: 106852
inchi:
InChI=1/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-13-9-23(49-3)17-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-14-10-24(50-4)18-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)

smiles:
O=C(NC1=CC=C(OC)C=C1OC)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC4=CC=C(OC)C=C4OC)C(=O)C)C(Cl)=C3)C(=O)C


cas: 67828-25-5
dtxsid: DTXSID30889865
formula: C36H36N12O14S4
inchikey: HOMNZOFYIUJVJO-MBCFVHIPSA-J
norman_susdat_id: NS00053229
pubchem_cid: 6441722
name:
Dipotassium disodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C36H36N12O14S4.2K.2Na/c49-17-15-37-31-43-33(39-23-7-11-27(12-8-23)63(51,52)53)47-35(45-31)41-25-5-3-21(29(19-25)65(57,58)59)1-2-22-4-6-26(20-30(22)66(60,61)62)42-36-46-32(38-16-18-50)44-34(48-36)40-24-9-13-28(14-10-24)64(54,55)56;;;;/h1-14,19-20,49-50H,15-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4

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


name: Benzenamine, 4,4'-[(2-chlorophenyl)methylene]bis[N-ethyl-2-methyl-
cas: 67828-30-2
chemspiderid: 95282
dtxsid: DTXSID5070658
formula: C25H29Cl1N2
inchikey: PQXNGDLMOOLIHP-UHFFFAOYSA-N
norman_susdat_id: NS00036196
pubchem_cid: 105716
smiles: CCNc1ccc(cc1C)C(c1ccc(NCC)c(C)c1)c1c(Cl)cccc1
inchi:
InChI=1S/C25H29ClN2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20/h7-16,25,27-28H,5-6H2,1-4H3


cas: 67828-31-3
formula: C21H30N2O.C10H8O6S2
inchikey: VZXHRZHLSFNNMC-UHFFFAOYSA-N
norman_susdat_id: NS00086660
smiles: CCN(CC)c1ccc(cc1)C(O)c2ccc(cc2)N(CC)CC.OS(=O)(=O)c3ccc4ccc(cc4c3)S(=O)(=O)O
name:
Naphthalene-2,7-disulphonic acid, compound with 4-(diethylamino)-a-[4-(diethylamino)phenyl]benzenemethanol (1:1)

inchi:
InChI=1/C21H30N2O.C10H8O6S2/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4;11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h9-16,21,24H,5-8H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)


name: 2,7-Naphthalenedisulfonic acid, 4-[bis[4-(diethylamino)phenyl]methyl]-
cas: 67828-32-4
chemspiderid: 95284
dtxsid: DTXSID0070659
formula: C31H36N2O6S2
inchikey: IGQUBTSSKFJNGK-UHFFFAOYSA-N
norman_susdat_id: NS00036197
pubchem_cid: 105718
smiles: CCN(CC)c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)c1c2ccc(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C31H36N2O6S2/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30/h9-21,31H,5-8H2,1-4H3,(H,34,35,36)(H,37,38,39)


name: Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-
cas: 67828-46-0
chemspiderid: 95294
dtxsid: DTXSID3070670
formula: C18H30N2O3
inchikey: YOVXTCPXRNWWRF-UHFFFAOYSA-N
norman_susdat_id: NS00036205
pubchem_cid: 105730
smiles: CCCCOc1cc(N)c(OCCCC)cc1N1CCOCC1
inchi:
InChI=1S/C18H30N2O3/c1-3-5-9-22-17-14-16(20-7-11-21-12-8-20)18(13-15(17)19)23-10-6-4-2/h13-14H,3-12,19H2,1-2H3


name: Benzenamine, 2,5-dibutoxy-4-(1-pyrrolidinyl)-
cas: 67828-47-1
chemspiderid: 95295
dtxsid: DTXSID8070671
formula: C18H30N2O2
inchikey: LWCNNIJUQDICTR-UHFFFAOYSA-N
norman_susdat_id: NS00036206
pubchem_cid: 105731
smiles: CCCCOc1cc(N2CCCC2)c(OCCCC)cc1N
inchi:
InChI=1S/C18H30N2O2/c1-3-5-11-21-17-14-16(20-9-7-8-10-20)18(13-15(17)19)22-12-6-4-2/h13-14H,3-12,19H2,1-2H3


name: 2,5-dibutoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)
cas: 67828-49-3
dtxsid: DTXSID20987167
formula: C18H28N3O2
inchikey: FWWYRDXGRQWBGG-UHFFFAOYSA-J
norman_susdat_id: NS00057262
pubchem_cid: 105733
smiles: N#[N+]C=1C=C(OCCCC)C(=CC1OCCCC)N2CCCC2.N#[N+]C=1C=C(OCCCC)C(=CC1OCCCC)N2CCCC2.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C18H28N3O2.4ClH.Zn/c2*1-3-5-11-22-17-14-16(21-9-7-8-10-21)18(13-15(17)20-19)23-12-6-4-2;;;;;/h2*13-14H,3-12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H28N3O2.Cl4Zn/c2*1-3-5-11-22-17-14-16(21-9-7-8-10-21)18(13-15(17)20-19)23-12-6-4-2;1-5(2,3)4/h2*13-14H,3-12H2,1-2H3;/q2*+1;-2


name: Pyrrolidine, 1-(2,5-dibutoxy-4-nitrophenyl)-
cas: 67828-50-6
chemspiderid: 95298
dtxsid: DTXSID3070672
formula: C18H28N2O4
inchikey: UNMQMJVEAHOWNC-UHFFFAOYSA-N
norman_susdat_id: NS00036207
pubchem_cid: 105734
smiles: CCCCOc1cc(N2CCCC2)c(OCCCC)cc1[N+](=O)[O-]
inchi:
InChI=1S/C18H28N2O4/c1-3-5-11-23-17-14-16(20(21)22)18(24-12-6-4-2)13-15(17)19-9-7-8-10-19/h13-14H,3-12H2,1-2H3


name: 1,3-Benzenediol, 4,4'-(5-hydroxypentylidene)bis-
cas: 67828-51-7
chemspiderid: 95299
dtxsid: DTXSID8070673
formula: C17H20O5
inchikey: INPTVGAWRSNOSM-UHFFFAOYSA-N
norman_susdat_id: NS00036208
pubchem_cid: 105735
smiles: OCCCCC(c1c(O)cc(O)cc1)c1c(O)cc(O)cc1
inchi:
InChI=1S/C17H20O5/c18-8-2-1-3-13(14-6-4-11(19)9-16(14)21)15-7-5-12(20)10-17(15)22/h4-7,9-10,13,18-22H,1-3,8H2


name: 4-(diethylamino)-2,5-diethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 67828-54-0
dtxsid: DTXSID80987168
formula: C14H22N3O2
inchikey: YJCDXQQDLZAZGK-UHFFFAOYSA-J
norman_susdat_id: NS00056426
pubchem_cid: 105738
smiles: N#[N+]C=1C=C(OCC)C(=CC1OCC)N(CC)CC.N#[N+]C=1C=C(OCC)C(=CC1OCC)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C14H22N3O2.4ClH.Zn/c2*1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;;;;;/h2*9-10H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H22N3O2.Cl4Zn/c2*1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;1-5(2,3)4/h2*9-10H,5-8H2,1-4H3;/q2*+1;-2


name: 3-methoxy-4-(pyrrolidinyl)benzenediazonium tetrachlorozincate (2:1)
cas: 67828-56-2
formula: C11H14N3O.1/2Cl4Zn
inchikey: YQJWFSQMAGKGNT-UHFFFAOYSA-J
norman_susdat_id: NS00087941
smiles: COc1cc(ccc1N2CCCC2)[N+]#N.COc3cc(ccc3N4CCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H14N3O.4ClH.Zn/c2*1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;;;;;/h2*4-5,8H,2-3,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3O.Cl4Zn/c2*1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;1-5(2,3)4/h2*4-5,8H,2-3,6-7H2,1H3;/q2*+1;-2


name: 3-chloro-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 67828-65-3
formula: C10H11ClN3O
inchikey: QZTLWSFQGBGQLX-UHFFFAOYSA-J
norman_susdat_id: NS00055464
pubchem_cid: 171908
smiles: N#[N+]C1=CC=C(C(Cl)=C1)N2CCOCC2.N#[N+]C1=CC=C(C(Cl)=C1)N2CCOCC2.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H11ClN3O.4ClH.Zn/c2*11-9-7-8(13-12)1-2-10(9)14-3-5-15-6-4-14;;;;;/h2*1-2,7H,3-6H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H11ClN3O.Cl4Zn/c2*11-9-7-8(13-12)1-2-10(9)14-3-5-15-6-4-14;1-5(2,3)4/h2*1-2,7H,3-6H2;/q2*+1;-2


name: N-[2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-inden-4-yl]acetamide
cas: 67828-70-0
dtxsid: DTXSID60886928
formula: C20H14N2O4
inchikey: KBAJQUXZEJSWSD-UHFFFAOYSA-N
norman_susdat_id: NS00055080
pubchem_cid: 106861
smiles: O=C(NC1=CC=CC=2C(=O)C(C(=O)C12)C3=NC=4C=CC=CC4C=C3O)C
inchi:
InChI=1/C20H14N2O4/c1-10(23)21-14-8-4-6-12-16(14)20(26)17(19(12)25)18-15(24)9-11-5-2-3-7-13(11)22-18/h2-9,17,24H,1H3,(H,21,23)


name: 1(3H)-Isobenzofuranone, 3-(benzo[f]quinolin-3-ylmethylene)-
cas: 67828-73-3
chemspiderid: 4941726
dtxsid: DTXSID2070683
formula: C22H13N1O2
inchikey: JMTWWDIOGUSVMC-UHFFFAOYSA-N
norman_susdat_id: NS00036215
pubchem_cid: 105753
smiles: O=C1O/C(=C/c2nc3c(cc2)c2ccccc2cc3)/c2c1cccc2
inchi:
InChI=1S/C22H13NO2/c24-22-19-8-4-3-7-18(19)21(25-22)13-15-10-11-17-16-6-2-1-5-14(16)9-12-20(17)23-15/h1-13H/b21-13+


name: 2-(phosphonooxy)propane-1,3-diyl bismethacrylate
cas: 67829-13-4
dtxsid: DTXSID50987170
formula: C11H17O8P
inchikey: XKGZMSUSCOSLIO-UHFFFAOYSA-N
norman_susdat_id: NS00056427
pubchem_cid: 6455583
smiles: O=C(OCC(OP(=O)(O)O)COC(=O)C(=C)C)C(=C)C
inchi:
InChI=1/C11H17O8P/c1-7(2)10(12)17-5-9(19-20(14,15)16)6-18-11(13)8(3)4/h9H,1,3,5-6H2,2,4H3,(H2,14,15,16)


name: Nonyl (4-chloro-2-methylphenoxy)acetate
cas: 67829-80-5
dtxsid: DTXSID30987173
formula: C18H27ClO3
inchikey: BPTINZNFNSGNTG-UHFFFAOYSA-N
norman_susdat_id: NS00056428
pubchem_cid: 3017794
smiles: O=C(OCCCCCCCCC)COC1=CC=C(Cl)C=C1C
inchi:
InChI=1/C18H27ClO3/c1-3-4-5-6-7-8-9-12-21-18(20)14-22-17-11-10-16(19)13-15(17)2/h10-11,13H,3-9,12,14H2,1-2H3


name: Decyl (4-chloro-2-methylphenoxy)acetate
cas: 67829-81-6
dtxsid: DTXSID90987174
formula: C19H29ClO3
inchikey: CFONOMUMGULYJB-UHFFFAOYSA-N
norman_susdat_id: NS00055596
pubchem_cid: 3017795
smiles: O=C(OCCCCCCCCCC)COC1=CC=C(Cl)C=C1C
inchi:
InChI=1/C19H29ClO3/c1-3-4-5-6-7-8-9-10-13-22-19(21)15-23-18-12-11-17(20)14-16(18)2/h11-12,14H,3-10,13,15H2,1-2H3


name: 5-(aminosulphonyl)-N-(2,5-dichloropentyl)-2-methoxybenzamide
cas: 67833-50-5
dtxsid: DTXSID10987176
formula: C13H18Cl2N2O4S
inchikey: QTWZISKLRIHFNO-UHFFFAOYSA-N
norman_susdat_id: NS00055466
pubchem_cid: 3017796
smiles: O=C(NCC(Cl)CCCCl)C1=CC(=CC=C1OC)S(=O)(=O)N
inchi:
InChI=1/C13H18Cl2N2O4S/c1-21-12-5-4-10(22(16,19)20)7-11(12)13(18)17-8-9(15)3-2-6-14/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)(H2,16,19,20)


cas: 67837-03-0
chemspiderid: 88307
dtxsid: DTXSID7070684
formula: C36H21Cl4N5O5
inchikey: UYUMJRLBPXJPGE-UHFFFAOYSA-N
norman_susdat_id: NS00036216
pubchem_cid: 105754
smiles: Clc1c(Cl)c(NC(=O)C(N=Nc2cccc3c2C(=O)c2cccc(NC(=O)c4ccccc4)c2C3=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1
name:
Propanediamide, 2-[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]azo]-N,N'-bis(2,3-dichlorophenyl)-

inchi:
InChI=1S/C36H21Cl4N5O5/c37-21-12-6-16-25(29(21)39)42-35(49)31(36(50)43-26-17-7-13-22(38)30(26)40)45-44-24-15-5-11-20-28(24)33(47)19-10-4-14-23(27(19)32(20)46)41-34(48)18-8-2-1-3-9-18/h1-17,31H,(H,41,48)(H,42,49)(H,43,50)/b45-44+


name: 7-carboxy-12,17-diethyl-3,8,13,18-tetramethyl-21H,23H-porphine-2-propionic acid
cas: 6784-82-3
formula: C32H40N4O4
inchikey: QNZDPKOOHMNJEC-UHFFFAOYSA-N
norman_susdat_id: NS00045013
pubchem_cid: NA
smiles: O=C(O)C=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4CC)C)C(=C3CC)C)C1C
inchi:
InChI=1/C32H32N4O4/c1-7-19-16(4)23-12-28-21(9-10-30(37)38)17(5)24(35-28)14-29-31(32(39)40)18(6)25(36-29)13-27-20(8-2)15(3)22(33-27)11-26(19)34-23/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)


name: 26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl acetate
cas: 67845-40-3
dtxsid: DTXSID50886937
formula: C35H62O11
inchikey: WSRIFSCIMSMXJL-UHFFFAOYSA-N
norman_susdat_id: NS00055488
pubchem_cid: 105761
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC=C(C=C1)CCCCCCCCC)C
inchi:
InChI=1/C35H62O11/c1-3-4-5-6-7-8-9-10-34-11-13-35(14-12-34)46-32-30-44-28-26-42-24-22-40-20-18-38-16-15-37-17-19-39-21-23-41-25-27-43-29-31-45-33(2)36/h11-14H,3-10,15-32H2,1-2H3


name: Benzoic acid, 2-[(3,7-dimethyl-6-octen-1-ylidene)amino]-, methyl ester
cas: 67845-42-5
chemspiderid: 96168
dtxsid: DTXSID60867358
formula: C18H25N1O2
inchikey: FOIQCUQRLOGHEZ-CPNJWEJPSA-N
norman_susdat_id: NS00012884
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CCC(C)CCC=C(C)C
inchi:
InChI=1S/C18H25NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-11,13,15H,7,9,12H2,1-4H3


name: 2-Butenedioic acid (2Z)-, mono-3,6,9,12,15,18-hexaoxaoctacos-1-yl ester
cas: 67845-43-6
chemspiderid: 4941727
dtxsid: DTXSID1070690
formula: C26H48O10
inchikey: LNXMOXFFLALVDY-UHFFFAOYSA-N
norman_susdat_id: NS00036220
pubchem_cid: 105762
smiles: CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/C(=O)O
inchi:
InChI=1S/C26H48O10/c1-2-3-4-5-6-7-8-9-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-26(29)11-10-25(27)28/h10-11H,2-9,12-24H2,1H3,(H,27,28)/b11-10+


name: (E)-1-(3,7-dimethylocta-2,6-dienyl)-1H-indole
cas: 67845-48-1
dtxsid: DTXSID80886940
formula: C18H23N
inchikey: BRAYSEBRLMYPDQ-LFIBNONCSA-N
norman_susdat_id: NS00056445
pubchem_cid: 6437147
smiles: C=1C=CC2=C(C1)C=CN2CC=C(C)CCC=C(C)C
inchi:
InChI=1/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3


name: 1,1-Diethoxy-2-hexyl-3-phenyl-2-propene
cas: 67845-59-4
chemspiderid: 4941731
dtxsid: DTXSID6070693
formula: C19H30O2
inchikey: QOUAYQKASAQPJF-UHFFFAOYSA-N
norman_susdat_id: NS00036224
pubchem_cid: 105769
smiles: CCCCCC/C(=Cc1ccccc1)/C(OCC)OCC
inchi:
InChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+


name: Dibutyl hydrogen phosphite, compound with methyl-1H-benzotriazole (1:1)
cas: 67845-60-7
formula: C7H7N3
inchikey: TVYBJUXMBMMIQX-UHFFFAOYSA-N
norman_susdat_id: NS00055144
pubchem_cid: 25902
smiles: OP(OCCCC)OCCCC.N1=NN(C=2C=CC=CC12)C
inchi:
InChI=1/C8H19O3P.C7H7N3/c1-3-5-7-10-12(9)11-8-6-4-2;1-10-7-5-3-2-4-6(7)8-9-10/h9H,3-8H2,1-2H3;2-5H,1H3


name: Phenol, 2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-dodecyl-
cas: 67845-80-1
chemspiderid: 95328
dtxsid: DTXSID2042274
formula: C28H52N2O5
inchikey: OULHAICTILGDPH-UHFFFAOYSA-N
norman_susdat_id: NS00036225
pubchem_cid: 105771
smiles: CCCCCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1
inchi:
InChI=1S/C28H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-21-26(23-29(13-17-31)14-18-32)28(35)27(22-25)24-30(15-19-33)16-20-34/h21-22,31-35H,2-20,23-24H2,1H3


name: [4-[(3,5-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone
cas: 67845-91-4
dtxsid: DTXSID90886951
formula: C21H26O3
inchikey: OTOPALCRQKAODB-UHFFFAOYSA-N
norman_susdat_id: NS00055646
pubchem_cid: 106896
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCC(C)CC(C)C)C=C2O
inchi:
InChI=1/C21H26O3/c1-15(2)13-16(3)11-12-24-18-9-10-19(20(22)14-18)21(23)17-7-5-4-6-8-17/h4-10,14-16,22H,11-13H2,1-3H3


name: 4-Piperidinecarboxylic acid, 2,2,6,6-tetramethyl-, 1,8-octanediyl ester
cas: 67845-92-5
chemspiderid: 95335
dtxsid: DTXSID1070696
formula: C28H52N2O4
inchikey: VARGBNQSQQAYGN-UHFFFAOYSA-N
norman_susdat_id: NS00022657
pubchem_cid: 105778
smiles: CC1(C)CC(CC(C)(C)N1)C(=O)OCCCCCCCCOC(=O)C1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)23(31)33-15-13-11-9-10-12-14-16-34-24(32)22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3


name: Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate
cas: 67845-93-6
chemspiderid: 85384
dtxsid: DTXSID0052382
formula: C31H54O3
inchikey: NZYMWGXNIUZYRC-UHFFFAOYSA-N
norman_susdat_id: NS00004055
pubchem_cid: 94623
smiles: CCCCCCCCCCCCCCCCOC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3


name: 4-heptadecylidene-3-tetradecyloxetan-2-one
cas: 67845-94-7
dtxsid: DTXSID9029774
formula: C34H64O2
inchikey: QRCIXSNAFQIQSW-UHFFFAOYSA-N
norman_susdat_id: NS00055562
pubchem_cid: 106897
smiles: O=C1OC(=CCCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCC
inchi:
InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-32(34(35)36-33)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3


name: 3-hexadecyl-4-pentadecylideneoxetan-2-one
cas: 67845-95-8
dtxsid: DTXSID4029775
formula: C34H64O2
inchikey: XPBFTRCBWYTEOD-UHFFFAOYSA-N
norman_susdat_id: NS00055146
pubchem_cid: 106898
smiles: O=C1OC(=CCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3


name: [4-[(4,5-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone
cas: 67845-96-9
dtxsid: DTXSID50886952
formula: C21H26O3
inchikey: DTRYYUXYDJOSKA-UHFFFAOYSA-N
norman_susdat_id: NS00056476
pubchem_cid: 106899
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCCC(C)C(C)C)C=C2O
inchi:
InChI=1/C21H26O3/c1-15(2)16(3)8-7-13-24-18-11-12-19(20(22)14-18)21(23)17-9-5-4-6-10-17/h4-6,9-12,14-16,22H,7-8,13H2,1-3H3


name: 2-hydroxy-4-[(3-methylheptyl)oxy]phenyl phenyl ketone
cas: 67845-97-0
dtxsid: DTXSID10886953
formula: C21H26O3
inchikey: DRGCHZYNFDICTL-UHFFFAOYSA-N
norman_susdat_id: NS00055147
pubchem_cid: 106900
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCC(C)CCCC)C=C2O
inchi:
InChI=1/C21H26O3/c1-3-4-8-16(2)13-14-24-18-11-12-19(20(22)15-18)21(23)17-9-6-5-7-10-17/h5-7,9-12,15-16,22H,3-4,8,13-14H2,1-2H3


name: [4-[(3,4-dimethylhexyl)oxy]-2-hydroxyphenyl] phenyl ketone
cas: 67845-98-1
dtxsid: DTXSID70886954
formula: C21H26O3
inchikey: VJDDEOYUJPSXDO-UHFFFAOYSA-N
norman_susdat_id: NS00055647
pubchem_cid: 106901
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCC(C)C(C)CC)C=C2O
inchi:
InChI=1/C21H26O3/c1-4-15(2)16(3)12-13-24-18-10-11-19(20(22)14-18)21(23)17-8-6-5-7-9-17/h5-11,14-16,22H,4,12-13H2,1-3H3


name: Benzoic acid, 2,3,4,5-tetrachloro-6-[[(3-methoxypropyl)amino]carbonyl]-
cas: 67846-01-9
chemspiderid: 95337
dtxsid: DTXSID1070698
formula: C12H11Cl4N1O4
inchikey: ZFCWJUKNOSHVCS-UHFFFAOYSA-N
norman_susdat_id: NS00036227
pubchem_cid: 105780
smiles: COCCCNC(=O)c1c(C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C12H11Cl4NO4/c1-21-4-2-3-17-11(18)5-6(12(19)20)8(14)10(16)9(15)7(5)13/h2-4H2,1H3,(H,17,18)(H,19,20)


name: 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-tricyclo[3.3.1.13,7]dec-2-yl-
cas: 67846-02-0
chemspiderid: 58041
dtxsid: DTXSID6070699
formula: C18H15Cl4N1O2
inchikey: KEEUXWVQBUEGFG-UHFFFAOYSA-N
norman_susdat_id: NS00036228
pubchem_cid: 64476
smiles: Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)N(C1C3CC4CC(C3)CC1C4)C2=O
inchi:
InChI=1S/C18H15Cl4NO2/c19-12-10-11(13(20)15(22)14(12)21)18(25)23(17(10)24)16-8-2-6-1-7(4-8)5-9(16)3-6/h6-9,16H,1-5H2/t6-,7+,8-,9+,16-


name: Bis[1,3-dimethyl-2-[[4-(methylamino)phenyl]azo]-1H-imidazolium] tetrachlorozincate(2-)
cas: 67846-03-1
dtxsid: DTXSID80987188
formula: C12H17N5
inchikey: JTENOAPVGUETQI-UHFFFAOYSA-L
norman_susdat_id: NS00055148
pubchem_cid: 21118052
smiles: Cl[Zn-2](Cl)(Cl)Cl.N(=NC1N(C=C[NH+]1C)C)C2=CC=C(C=C2)NC.N(=NC1N(C=C[NH+]1C)C)C2=CC=C(C=C2)NC
inchi:
InChI=1/2C12H17N5.4ClH.Zn/c2*1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;;;;;/h2*4-9,12-13H,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C12H17N5.Cl4Zn/c2*1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-5(2,3)4/h2*4-9,12-13H,1-3H3;/q;;-2/p+2


name: 2-(8-heptadecenyl)-4,5-dihydro-1,3-bis(2-hydroxyethyl)-1H-imidazolium chloride
cas: 67846-04-2
formula: C24H48N2O2
inchikey: KPGIBTFRMDDNBN-UHFFFAOYSA-N
norman_susdat_id: NS00055563
pubchem_cid: 3023626
smiles: [Cl-].OCCN1CC[NH+](CCO)C1CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H48N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28;/h9-10,24,27-28H,2-8,11-23H2,1H3;1H


cas: 67846-08-6
dtxsid: DTXSID90886956
formula: C25H52N4O2
inchikey: SKABYWYFSSMMFG-UHFFFAOYSA-N
norman_susdat_id: NS00055648
pubchem_cid: 21118053
smiles: O=C(N)NCCN(CC)CCNC(=O)CCCCCCCCCCCCCCCCC.O=P(O)(OCC)OCC
name:
Diethyl hydrogen phosphate, compound with N-[2-[[2-[(carbamoyl)amino]ethyl]ethylamino]ethyl]octadecanamide (1:1)

inchi:
InChI=1/C25H52N4O2.C4H11O4P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(30)27-20-22-29(4-2)23-21-28-25(26)31;1-3-7-9(5,6)8-4-2/h3-23H2,1-2H3,(H,27,30)(H3,26,28,31);3-4H2,1-2H3,(H,5,6)


name: Ethyl dihydrogen phosphate, compound with N,N-dimethyldodecylamine (1:1)
cas: 67846-09-7
formula: C14H31N.C2H7O4P
inchikey: GTURAICSVKMGGM-UHFFFAOYSA-N
norman_susdat_id: NS00087934
smiles: CN(C)CCCCCCCCCCCC.OP(=O)(O)OCC
inchi:
InChI=1/C14H31N.C2H7O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-6-7(3,4)5/h4-14H2,1-3H3;2H2,1H3,(H2,3,4,5)


name: 1,2-dibenzyl hydrogen benzene-1,2,4-tricarboxylate
cas: 67846-10-0
dtxsid: DTXSID50886957
formula: C23H18O6
inchikey: DCFMBJGEQFRYCO-UHFFFAOYSA-N
norman_susdat_id: NS00056477
pubchem_cid: 105788
smiles: O=C(O)C1=CC=C(C(=O)OCC=2C=CC=CC2)C(=C1)C(=O)OCC=3C=CC=CC3
inchi:
InChI=1/C23H18O6/c24-21(25)18-11-12-19(22(26)28-14-16-7-3-1-4-8-16)20(13-18)23(27)29-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,25)


name: Ethylbis[2-(oleoylamino)ethyl]ammonium ethyl sulphate
cas: 67846-12-2
formula: C42H81N3O2
inchikey: ZYVBAZSLDBUEAZ-JDVCJPALSA-N
norman_susdat_id: NS00055149
pubchem_cid: 6437152
smiles: O=C(NCC[NH+](CC)CCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C42H81N3O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-39-45(6-3)40-38-44-42(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3,(H,43,46)(H,44,47);2H2,1H3,(H,3,4,5)


cas: 67846-14-4
dtxsid: DTXSID40892143
formula: C42H80N3O
inchikey: RUYPFPITFAOONF-JDVCJPALSA-N
norman_susdat_id: NS00055564
pubchem_cid: 20838817
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCC=CCCCCCCCC)CC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OCC
name:
(Z,Z)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium ethyl sulphate

inchi:
InChI=1/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)


name: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, ethyl sulfate
cas: 67846-16-6
chemspiderid: 95345
dtxsid: DTXSID3070701
formula: C25H53N2O1
inchikey: MZYINYJNKCFGFZ-UHFFFAOYSA-O
norman_susdat_id: NS00014112
pubchem_cid: 105794
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCO[S]([O-])(=O)=O
inchi:
InChI=1S/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)


name: Octyl dihydrogen phosphate, compound with N,N-dimethyloctadecylamine (1:1)
cas: 67846-18-8
formula: C20H43N.C8H19O4P
inchikey: CDIGSOJIQOIUPU-UHFFFAOYSA-N
norman_susdat_id: NS00087992
smiles: CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)O
inchi:
InChI=1/C20H43N.C8H19O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-12-13(9,10)11/h4-20H2,1-3H3;2-8H2,1H3,(H2,9,10,11)


name: Dioctyl hydrogen phosphate, compound with N,N-dimethyloctadecylamine (1:1)
cas: 67846-19-9
formula: C20H43N.C16H35O4P
inchikey: LXADRRWJCBMMLX-UHFFFAOYSA-N
norman_susdat_id: NS00087993
smiles: CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCOP(=O)(O)OCCCCCCCC
inchi:
InChI=1/C20H43N.C16H35O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h4-20H2,1-3H3;3-16H2,1-2H3,(H,17,18)


name: Isopentyl octyl hydrogen phosphate, compound with 2-(dibutylamino)ethanol (1:1)
cas: 67846-41-7
formula: C13H29O4P.C10H23NO
inchikey: ZXUHSVBWXVYYKE-UHFFFAOYSA-N
norman_susdat_id: NS00087935
smiles: CCCCCCCCOP(=O)(O)OCCC(C)C.CCCCN(CCO)CCCC
inchi:
InChI=1/C13H29O4P.C10H23NO/c1-4-5-6-7-8-9-11-16-18(14,15)17-12-10-13(2)3;1-3-5-7-11(9-10-12)8-6-4-2/h13H,4-12H2,1-3H3,(H,14,15);12H,3-10H2,1-2H3


name: Tetraethyl 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalate
cas: 67846-42-8
chemspiderid: 95352
dtxsid: DTXSID3070707
formula: C27H26F6O8
inchikey: SHDCCUHYEVELSX-UHFFFAOYSA-N
norman_susdat_id: NS00036230
pubchem_cid: 105801
smiles: CCOC(=O)c1ccc(cc1C(=O)OCC)C(c1cc(C(=O)OCC)c(cc1)C(=O)OCC)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C27H26F6O8/c1-5-38-21(34)17-11-9-15(13-19(17)23(36)40-7-3)25(26(28,29)30,27(31,32)33)16-10-12-18(22(35)39-6-2)20(14-16)24(37)41-8-4/h9-14H,5-8H2,1-4H3


name: Sodium 1-methyl 10-(sulphooxy)octadecanoate
cas: 67846-43-9
dtxsid: DTXSID70987192
formula: C19H38O6S
inchikey: XARKOXAKILDMOE-UHFFFAOYSA-N
norman_susdat_id: NS00056478
pubchem_cid: 106906
smiles: [Na+].O=C(OC)CCCCCCCCC(OS(=O)(=O)O)CCCCCCCC
inchi:
InChI=1/C19H38O6S.Na/c1-3-4-5-6-9-12-15-18(25-26(21,22)23)16-13-10-7-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1


cas: 67846-46-2
formula: C20H43NO8S2
norman_susdat_id: NS00101635
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(hexadecylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 67846-54-2
chemspiderid: 95354
dtxsid: DTXSID80218085
formula: C28H21Cl2N5O9S2
inchikey: WPNCZPHIKSFVSG-UHFFFAOYSA-N
norman_susdat_id: NS00036231
pubchem_cid: 105803
smiles: Cc1c(NC(=O)c2c(Cl)nnc(Cl)c2)c(C)c(c(C)c1Nc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(c1)S(=O)(=O)O)S(=O)(=O)O
name:
1-Amino-4-(3-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)


cas: 67846-55-3
dtxsid: DTXSID8070708
formula: NA
inchikey: YWFVUINYAWNXHH-UHFFFAOYSA-N
norman_susdat_id: NS00055665
pubchem_cid: NA
smiles: OS(=O)(=O)c7cc2cc(c(N=Nc1ccccc1)c(O)c2c(N)c7N=Nc3ccc(cc3)c4nc5ccc(cc5n4)N=Nc6ccc(O)cc6)S(O)(=O)=O
name:
4-amino-5-hydroxy-3-[[4-[5-[(4-hydroxyphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C35H25N9O8S2/c36-31-30-20(17-29(54(50,51)52)33(34(30)46)44-40-21-4-2-1-3-5-21)16-28(53(47,48)49)32(31)43-41-22-8-6-19(7-9-22)35-37-26-15-12-24(18-27(26)38-35)42-39-23-10-13-25(45)14-11-23/h1-18,45-46H,36H2,(H,37,38)(H,47,48,49)(H,50,51,52)


name: 3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium chloride
cas: 67846-56-4
dtxsid: DTXSID80886960
formula: C15H16N3O2
inchikey: IQWZDDMJNAILMK-UHFFFAOYSA-M
norman_susdat_id: NS00055716
pubchem_cid: NA
smiles: [Cl-].N1=C2C=CC(=CC2=[O+]C3=CC(N)=C(OC)C=C13)N(C)C
inchi:
InChI=1/C15H16N3O2.ClH/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;/h4-8H,16H2,1-3H3;1H/q+1;/p-1


cas: 67846-57-5
formula: C48H39N13O15S3
inchikey: CQTAQKVHXKHTGX-UHFFFAOYSA-K
norman_susdat_id: NS00055607
pubchem_cid: 16131240
name:
Glycine, N-[3-amino-4-[[7-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-2-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, trisodium salt

inchi:
InChI=1/C48H39N13O15S3.3Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)57-55-31-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-31)60-54-27-7-5-26(6-8-27)53-30-11-14-39(40(21-30)77(68,69)70)59-61-46-42(79(74,75)76)16-25-2-4-32(18-34(25)48(46)67)56-58-38-13-10-29(20-36(38)50)52-23-44(64)65;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])CNC1=CC=C(N=NC2=CC=C3C=C(C(N=NC4=CC=C(C=C4)NC5=CC=C(N=NC6=C(O)C7=CC(N=NC8=CC=C(C=C8N)NCC(=O)[O-])=CC=C7C=C6S(=O)(=O)O)C(=C5)S(=O)(=O)O)=C(O)C3=C2)S(=O)(=O)[O-])C(N)=C1


cas: 67846-58-6
dtxsid: DTXSID40886961
formula: C16H11Cl3N4O4S
inchikey: ZGJOYJOGEVRBHB-UHFFFAOYSA-N
norman_susdat_id: NS00056509
pubchem_cid: 105807
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(Cl)C=C2)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)O
name:
2,5-dichloro-4-[4-[(4-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C16H11Cl3N4O4S/c1-8-15(21-20-10-4-2-9(17)3-5-10)16(24)23(22-8)13-6-12(19)14(7-11(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)


cas: 67846-59-7
dtxsid: DTXSID90889866
formula: C18H18N5O4
inchikey: BMBZQBZJZSCXNQ-UHFFFAOYSA-N
norman_susdat_id: NS00055717
pubchem_cid: NA
smiles: [Cl-].Cl.N#[N+]C1=CC(OC)=C(N=NC(C(=O)NC=2C=CC=CC2)C(=O)C)C=C1OC
name:
2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenediazonium chloride monohydrochloride

inchi:
InChI=1/C18H17N5O4.2ClH/c1-11(24)17(18(25)20-12-7-5-4-6-8-12)23-22-14-10-15(26-2)13(21-19)9-16(14)27-3;;/h4-10,17H,1-3H3;2*1H


cas: 67846-60-0
dtxsid: DTXSID3070709
formula: C19H19N3O12S4
inchikey: QFHVNFXTQMXLJB-UHFFFAOYSA-N
norman_susdat_id: NS00056510
pubchem_cid: 105810
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC=2C(=CC=C3C=C(C=CC32)S(=O)(=O)O)NC)C(=C1)S(=O)(=O)O
name:
6-(methylamino)-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C19H19N3O12S4/c1-20-17-6-2-12-10-14(36(25,26)27)3-5-15(12)19(17)22-21-16-7-4-13(11-18(16)37(28,29)30)35(23,24)9-8-34-38(31,32)33/h2-7,10-11,20H,8-9H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)


name: Propanamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]-
cas: 67846-62-2
chemspiderid: 95362
dtxsid: DTXSID7070711
formula: C20H23Cl1N6O7
inchikey: TTXGBEVCKFDELR-UHFFFAOYSA-N
norman_susdat_id: NS00022658
pubchem_cid: 105812
smiles: CCNc1cc(NC(=O)CC)c(cc1OCCOC)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C20H23ClN6O7/c1-4-19(28)23-14-10-16(22-5-2)18(34-7-6-33-3)11-15(14)24-25-20-13(21)8-12(26(29)30)9-17(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)/b25-24+


name: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis[(2-hydroxyethoxy)methyl]-
cas: 67846-63-3
chemspiderid: 93344
dtxsid: DTXSID2070712
formula: C16H30N4O10
inchikey: NKPQXGFVCNENAF-UHFFFAOYSA-N
norman_susdat_id: NS00021326
pubchem_cid: 105813
smiles: OCCOCN1C2C(N(COCCO)C1=O)N(COCCO)C(=O)N2COCCO
inchi:
InChI=1S/C16H30N4O10/c21-1-5-27-9-17-13-14(19(15(17)25)11-29-7-3-23)20(12-30-8-4-24)16(26)18(13)10-28-6-2-22/h13-14,21-24H,1-12H2/t13-,14-


name: 5-(benzoylamino)-2,4-dimethoxybenzenediazonium chloride hydrochloride
cas: 67846-64-4
dtxsid: DTXSID50889867
formula: C15H14N3O3
inchikey: RSDJMBZUSBYMEO-UHFFFAOYSA-N
norman_susdat_id: NS00055732
pubchem_cid: 105815
smiles: [Cl-].Cl.N#[N+]C=1C=C(NC(=O)C=2C=CC=CC2)C(OC)=CC1OC
inchi:
InChI=1/C15H13N3O3.2ClH/c1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;;/h3-9H,1-2H3;2*1H


name: S-(3-(Ethoxycarbonylaminomethyl)-3-(perfluorohexyl)propyl)sulfurothioate sodium
cas: 67846-66-6
chemspiderid: NA
dtxsid: DTXSID80880569
formula: C13H14F13N1O5S2
inchikey: UYUOZBNZXQYEJL-ZCFIWIBFSA-N
norman_susdat_id: NS00011403
pubchem_cid: NA
smiles: C(NC(OCC)=O)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCS[S]([O-])(=O)=O.[K+]
inchi:
InChI=1S/C13H14F13NO5S2./c1-2-32-7(28)27-5-6(3-4-33-34(29,30)31)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;/h6H,2-5H2,1H3,(H,27,28)(H,29,30,31);/q;+1/p-1


name: Ethanaminium, N,N-dimethyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, chloride
cas: 67846-68-8
chemspiderid: 95368
dtxsid: DTXSID0029399
formula: C42H84N1O4
inchikey: UUBKGJHHVMRJDS-UHFFFAOYSA-N
norman_susdat_id: NS00013643
pubchem_cid: 105819
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H84NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1


cas: 67847-13-6
formula: C18H20N4O2S2
inchikey: SORSDDPFXXJCHX-UHFFFAOYSA-N
norman_susdat_id: NS00056512
pubchem_cid: 3017797
smiles: O=C1C(SC(=C2C(=O)N(C(=S)N2CC)C)N1CC=C)=C3C=CC=CN3C
name:
3-allyl-2-(3-ethyl-1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)-5-(1-methylpyridin-2(1H)-ylidene)thiazolidin-4-one

inchi:
InChI=1/C18H20N4O2S2/c1-5-10-22-16(24)14(12-9-7-8-11-19(12)3)26-17(22)13-15(23)20(4)18(25)21(13)6-2/h5,7-9,11H,1,6,10H2,2-4H3


name: 17ß-hydroxyestr-4-en-3-one 17-(3-carboxypropionate)
cas: 6785-62-2
dtxsid: DTXSID70987197
formula: C22H30O5
inchikey: IRQUJNVGEAJGSD-WUOGMODZSA-N
norman_susdat_id: NS00045067
pubchem_cid: 94333
smiles: O=C(O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C
inchi:
InChI=1/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)


name: Sodium 2-hydroxyindan-5-sulphonate
cas: 67851-69-8
dtxsid: DTXSID40987200
formula: C9H10O4S
inchikey: YONDSUKOHFMYRL-UHFFFAOYSA-M
norman_susdat_id: NS00055608
pubchem_cid: 3017800
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(=C1)CC(O)C2
inchi:
InChI=1/C9H10O4S.Na/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8;/h1-2,5,8,10H,3-4H2,(H,11,12,13);/q;+1/p-1


name: Sodium 1-(2-methylpropyl) 10-(sulphooxy)octadecanoate
cas: 67859-39-6
dtxsid: DTXSID60987202
formula: C22H44O6S
inchikey: GJLBBZPTFQUFMJ-UHFFFAOYSA-N
norman_susdat_id: NS00055609
pubchem_cid: 106910
smiles: [Na+].O=C(OCC(C)C)CCCCCCCCC(OS(=O)(=O)O)CCCCCCCC
inchi:
InChI=1/C22H44O6S.Na/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1


name: 2,2-dibutyl-6-oxo-1,3,2-oxathiastanninane-4-carboxylic acid
cas: 67859-55-6
dtxsid: DTXSID60886963
formula: C12H22O4SSn
inchikey: LVYHWZLVISKZHG-UHFFFAOYSA-L
norman_susdat_id: NS00054303
pubchem_cid: NA
smiles: O=C1O[Sn](SC(C(=O)O)C1)(CCCC)CCCC
inchi:
InChI=1/C4H6O4S.2C4H9.Sn/c5-3(6)1-2(9)4(7)8;2*1-3-4-2;/h2,9H,1H2,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/rC12H22O4SSn/c1-3-5-7-18(8-6-4-2)16-11(13)9-10(17-18)12(14)15/h10H,3-9H2,1-2H3,(H,14,15)


name: Bis(2-ethylhexyl) nonylphenyl phosphite
cas: 67859-74-9
dtxsid: DTXSID80987209
formula: C31H57O3P
inchikey: JWLNMCQYIVCBPP-UHFFFAOYSA-N
norman_susdat_id: NS00054353
pubchem_cid: 20255321
smiles: O(C=1C=CC=CC1CCCCCCCCC)P(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1/C31H57O3P/c1-6-11-14-15-16-17-18-23-30-24-19-20-25-31(30)34-35(32-26-28(9-4)21-12-7-2)33-27-29(10-5)22-13-8-3/h19-20,24-25,28-29H,6-18,21-23,26-27H2,1-5H3


name: Diethoxymethyloctadecylsilane
cas: 67859-75-0
formula: C23H50O2Si
inchikey: APXIUGUTGQHDAX-UHFFFAOYSA-N
norman_susdat_id: NS00054740
pubchem_cid: NA
smiles: O(CC)C(OCC)[SiH2]CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H50O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(24-5-2)25-6-3/h23H,4-22,26H2,1-3H3


name: (Z)-3,7-dimethylocta-2,6-dienyl anthranilate
cas: 67859-99-8
formula: C17H23NO2
inchikey: QLRICECRKJGSKQ-KAMYIIQDSA-N
norman_susdat_id: NS00087511
smiles: CC(=CCC\C(=C/COC(=O)c1ccccc1N)\C)C
inchi:
InChI=1/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3


name: 1-Phenyloctadecan-1-one
cas: 6786-36-3
chemspiderid: 73301
dtxsid: DTXSID20218100
formula: C24H40O1
inchikey: DBLXXVQTWJFJFI-UHFFFAOYSA-N
norman_susdat_id: NS00036240
pubchem_cid: 81244
smiles: CCCCCCCCCCCCCCCCCC(=O)c1ccccc1
inchi:
InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3


name: alpha,alpha-bis[4-(Dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanol
cas: 6786-83-0
chemspiderid: 73302
dtxsid: DTXSID4064474
formula: C33H33N3O1
inchikey: WNDULEJVCPEASN-UHFFFAOYSA-N
norman_susdat_id: NS00011486
pubchem_cid: 81245
smiles: CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35
inchi:
InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3


name: 1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(ethylamino)-
cas: 6786-84-1
chemspiderid: 73303
dtxsid: DTXSID9064475
formula: C29H33N3O1
inchikey: POGFPZCWAIFSIW-UHFFFAOYSA-N
norman_susdat_id: NS00021327
pubchem_cid: 81246
smiles: CCNc1ccc(c2c1cccc2)C(O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C29H33N3O/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(33,21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5/h7-20,30,33H,6H2,1-5H3


name: <U+03B7>-1H-indol-3-yl-a,a,e-trimethyl-1H-indole-3-heptanol
cas: 67860-00-8
dtxsid: DTXSID90867366
formula: C26H32N2O
inchikey: QWWDRNFZSAZCQE-UHFFFAOYSA-N
norman_susdat_id: NS00055673
pubchem_cid: 22750441
smiles: OC(C)(C)CCCC(C)CC(C1C=NC=2C=CC=CC21)C3C=NC=4C=CC=CC43
inchi:
InChI=1/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3


name: Propylene bis[3-octyloxiran-2-octanoate]
cas: 67860-05-3
formula: C39H72O6
inchikey: GQIQPZPZQNIQGQ-UHFFFAOYSA-N
norman_susdat_id: NS00054355
pubchem_cid: 106921
smiles: O=C(OCC(OC(=O)CCCCCCCC1OC1CCCCCCCC)C)CCCCCCCC2OC2CCCCCCCC
inchi:
InChI=1/C39H72O6/c1-4-6-8-10-14-20-26-34-36(44-34)28-22-16-12-18-24-30-38(40)42-32-33(3)43-39(41)31-25-19-13-17-23-29-37-35(45-37)27-21-15-11-9-7-5-2/h33-37H,4-32H2,1-3H3


name: 6-decyl 1-octyl 2,4,4-trimethyladipate
cas: 67873-93-2
dtxsid: DTXSID30886975
formula: C27H52O4
inchikey: XFIZFSOWVUXQHE-UHFFFAOYSA-N
norman_susdat_id: NS00055674
pubchem_cid: 106926
smiles: O=C(OCCCCCCCCCC)CC(C)(C)CC(C(=O)OCCCCCCCC)C
inchi:
InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-18-20-30-25(28)23-27(4,5)22-24(3)26(29)31-21-19-16-13-11-9-7-2/h24H,6-23H2,1-5H3


name: 2-methyl-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate
cas: 67873-95-4
dtxsid: DTXSID70987218
formula: C41H78O6
inchikey: PBHKDCBZJONOSA-UHFFFAOYSA-N
norman_susdat_id: NS00055675
pubchem_cid: 105848
smiles: O=C(OCC(C)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C41H78O6/c1-5-8-11-14-17-20-23-26-29-32-38(42)45-35-41(4,36-46-39(43)33-30-27-24-21-18-15-12-9-6-2)37-47-40(44)34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3


name: 2-(hydroxymethyl)-2-[[(1-oxododecyl)oxy]methyl]propane-1,3-diyl dilaurate
cas: 67874-04-8
dtxsid: DTXSID30987219
formula: C41H78O7
inchikey: CYCUQBHCRPDWQM-UHFFFAOYSA-N
norman_susdat_id: NS00054374
pubchem_cid: 105856
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C41H78O7/c1-4-7-10-13-16-19-22-25-28-31-38(43)46-35-41(34-42,36-47-39(44)32-29-26-23-20-17-14-11-8-5-2)37-48-40(45)33-30-27-24-21-18-15-12-9-6-3/h42H,4-37H2,1-3H3


name: 2-methyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate
cas: 67874-05-9
dtxsid: DTXSID40987220
formula: C35H66O6
inchikey: GCEHDURERRQQCZ-UHFFFAOYSA-N
norman_susdat_id: NS00055676
pubchem_cid: 105857
smiles: O=C(OCC(C)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C35H66O6/c1-5-8-11-14-17-20-23-26-32(36)39-29-35(4,30-40-33(37)27-24-21-18-15-12-9-6-2)31-41-34(38)28-25-22-19-16-13-10-7-3/h5-31H2,1-4H3


cas: 67874-08-2
dtxsid: DTXSID60987222
formula: C52H101N4O
inchikey: ZFYBAYJOZWMKNE-UHFFFAOYSA-M
norman_susdat_id: NS00054375
pubchem_cid: 21125019
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCCCC)C.O=S(=O)([O-])OC
name:
1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-2-henicosyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate

inchi:
InChI=1/C52H101N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-51-54-46-49-56(51,3)50-48-55(47-42-45-53)52(57)44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-44,46-50H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 67874-10-6
dtxsid: DTXSID20987223
formula: C48H93N4O
inchikey: HROQWPUNOJRCJI-UHFFFAOYSA-M
norman_susdat_id: NS00054376
pubchem_cid: 105859
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCC)C.O=S(=O)([O-])OC
name:
1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate

inchi:
InChI=1/C48H93N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-47-50-42-45-52(47,3)46-44-51(43-38-41-49)48(53)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-40,42-46H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 67874-12-8
dtxsid: DTXSID80987224
formula: C32H61N4O
inchikey: CJQJKTASNAAALI-UHFFFAOYSA-M
norman_susdat_id: NS00054831
pubchem_cid: 105861
smiles: N#CCCN(C(=O)CCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCC)C.O=S(=O)([O-])OC
name:
1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-4,5-dihydro-1-methyl-2-undecyl-1H-imidazolium methyl sulphate

inchi:
InChI=1/C32H61N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-23-31-34-26-29-36(31,3)30-28-35(27-22-25-33)32(37)24-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-24,26-30H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 67874-14-0
dtxsid: DTXSID40987225
formula: C53H103N4O
inchikey: LTIHTLLUEAQLBY-UHFFFAOYSA-M
norman_susdat_id: NS00055677
pubchem_cid: 105863
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCCCC)CC.O=S(=O)([O-])OCC
name:
1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-1-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate

inchi:
InChI=1/C53H103N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52-55-47-50-57(52,6-3)51-49-56(48-43-46-54)53(58)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 67874-16-2
dtxsid: DTXSID00987226
formula: C33H63N4O
inchikey: OKUBZTTZGMSIEF-UHFFFAOYSA-M
norman_susdat_id: NS00054875
pubchem_cid: 171929
smiles: N#CCCN(C(=O)CCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCC)CC.O=S(=O)([O-])OCC
name:
1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate

inchi:
InChI=1/C33H63N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-24-32-35-27-30-37(32,6-3)31-29-36(28-23-26-34)33(38)25-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-25,27-31H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 67874-18-4
dtxsid: DTXSID60987227
formula: C44H85N4O
inchikey: JRNQTQQWVNRAFK-UHFFFAOYSA-M
norman_susdat_id: NS00054876
pubchem_cid: 171931
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)C.O=S(=O)([O-])OC
name:
1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate

inchi:
InChI=1/C44H85N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-43-46-38-41-48(43,3)42-40-47(39-34-37-45)44(49)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-36,38-42H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 67874-20-8
dtxsid: DTXSID20987228
formula: C45H87N4O
inchikey: VJZSHHISGDXXMO-UHFFFAOYSA-M
norman_susdat_id: NS00055736
pubchem_cid: 105865
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)CC.O=S(=O)([O-])OCC
name:
1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate

inchi:
InChI=1/C45H87N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44-47-39-42-49(44,6-3)43-41-48(40-35-38-46)45(50)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;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 67874-22-0
dtxsid: DTXSID80987229
formula: C49H95N4O
inchikey: DRXGOYXMFMEQCS-UHFFFAOYSA-M
norman_susdat_id: NS00054410
pubchem_cid: 171933
smiles: N#CCCN(C(=O)CCCCCCCCCCCCCCCCCCC)CC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCC)CC.O=S(=O)([O-])OCC
name:
1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-nonadecyl-1H-imidazolium ethyl sulphate

inchi:
InChI=1/C49H95N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-48-51-43-46-53(48,6-3)47-45-52(44-39-42-50)49(54)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-41,43-47H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Spiro[1,3-benzodioxole-2,1'-cyclohexane], 5,5''-dithiobis[6-nitro-
cas: 67874-25-3
chemspiderid: 95412
dtxsid: DTXSID5070733
formula: C24H24N2O8S2
inchikey: LMNCEJDAXFXRNW-UHFFFAOYSA-N
norman_susdat_id: NS00036242
pubchem_cid: 105869
smiles: [O-][N+](=O)c1cc2c(OC3(CCCCC3)O2)cc1SSc1c(cc2OC3(CCCCC3)Oc2c1)[N+](=O)[O-]
inchi:
InChI=1S/C24H24N2O8S2/c27-25(28)15-11-17-19(33-23(31-17)7-3-1-4-8-23)13-21(15)35-36-22-14-20-18(12-16(22)26(29)30)32-24(34-20)9-5-2-6-10-24/h11-14H,1-10H2


cas: 67874-26-4
dtxsid: DTXSID0070734
formula: C31H24N10O9S
inchikey: JWLRZEVOQGZBHK-UHFFFAOYSA-L
norman_susdat_id: NS00054796
pubchem_cid: NA
name:
Disodium 5-[[4-[[3-[[3-[(2,4-diaminophenyl)azo]-2-hydroxy-5-sulphonatophenyl]azo]-2,6-dihydroxyphenyl]azo]phenyl]azo]salicylate

inchi:
InChI=1/C31H24N10O9S.2Na/c32-15-1-7-22(21(33)11-15)37-39-24-13-19(51(48,49)50)14-25(29(24)44)40-38-23-8-10-27(43)28(30(23)45)41-35-17-4-2-16(3-5-17)34-36-18-6-9-26(42)20(12-18)31(46)47;;/h1-14,42-45H,32-33H2,(H,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC=3C(O)=CC=C(N=NC=4C=C(C=C(N=NC5=CC=C(N)C=C5N)C4O)S(=O)(=O)[O-])C3O)C=C2)=CC=C1O


name: 5,6-dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazin-6-yl sulphate
cas: 67874-34-4
dtxsid: DTXSID90987230
formula: C18H28N2O6S
inchikey: XSQJUMGZEFDUAL-UHFFFAOYSA-N
norman_susdat_id: NS00054814
pubchem_cid: NA
smiles: O=S(=O)(OC1(OC(=NC(C)(C)C1)C=C)C)OC2(OC(=NC(C)(C)C2)C=C)C
inchi:
InChI=1/C18H28N2O6S/c1-9-13-19-15(3,4)11-17(7,23-13)25-27(21,22)26-18(8)12-16(5,6)20-14(10-2)24-18/h9-10H,1-2,11-12H2,3-8H3


name: Diisotridecyl phenyl phosphite
cas: 67874-37-7
chemspiderid: 95413
dtxsid: DTXSID5070735
formula: C32H59O3P1
inchikey: ZCEURBBJHMJEOG-UHFFFAOYSA-N
norman_susdat_id: NS00019916
pubchem_cid: 105872
smiles: CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)Oc1ccccc1
inchi:
InChI=1S/C32H59O3P/c1-30(2)24-18-13-9-5-7-11-15-22-28-33-36(35-32-26-20-17-21-27-32)34-29-23-16-12-8-6-10-14-19-25-31(3)4/h17,20-21,26-27,30-31H,5-16,18-19,22-25,28-29H2,1-4H3


name: 9,12-Octadecadienoic acid (9Z,12Z)-, isooctyl ester
cas: 67874-38-8
chemspiderid: 4941741
dtxsid: DTXSID0070736
formula: C26H48O2
inchikey: SHJGZTHMRQYWME-UHFFFAOYSA-N
norman_susdat_id: NS00036243
pubchem_cid: 105873
smiles: CCCCC/C=CC/C=CCCCCCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C26H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h8-9,11-12,25H,4-7,10,13-24H2,1-3H3/b9-8-,12-11-


name: Tetrasodium N,N'-ethylenebis[N-(2-carboxylatoethyl)-ß-alaninate]
cas: 67874-43-5
dtxsid: DTXSID5070739
formula: C14H24N2O8
inchikey: CJVPOGPEEJPBFT-UHFFFAOYSA-J
norman_susdat_id: NS00055737
pubchem_cid: 105878
smiles: [Na+].[Na+].[Na+].[Na+].O=C([O-])CCN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-]
inchi:
InChI=1/C14H24N2O8.4Na/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4


name: 4-methyl-9-oxo-4-[[2-(propionyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannaundecyl propionate
cas: 67874-46-8
dtxsid: DTXSID70886979
formula: C16H30O6S3Sn
inchikey: HYXYGXCZBAZPBH-UHFFFAOYSA-K
norman_susdat_id: NS00055738
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)C)CC
inchi:
InChI=1/3C5H10O2S.CH3.Sn/c3*1-2-5(6)7-3-4-8;;/h3*8H,2-4H2,1H3;1H3;/q;;;;+3/p-3/rC16H30O6S3Sn/c1-5-14(17)20-8-11-23-26(4,24-12-9-21-15(18)6-2)25-13-10-22-16(19)7-3/h5-13H2,1-4H3


name: 4,4-dibutyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate
cas: 67874-47-9
dtxsid: DTXSID80886980
formula: C16H32O4S2Sn
inchikey: XCXPJDWGCJETNF-UHFFFAOYSA-L
norman_susdat_id: NS00054815
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)C)(CCCC)CCCC)C
inchi:
InChI=1/2C4H8O2S.2C4H9.Sn/c2*1-4(5)6-2-3-7;2*1-3-4-2;/h2*7H,2-3H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC16H32O4S2Sn/c1-5-7-13-23(14-8-6-2,21-11-9-19-15(3)17)22-12-10-20-16(4)18/h5-14H2,1-4H3


name: 4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannadecyl acetate
cas: 67874-48-0
dtxsid: DTXSID40886981
formula: C10H20O4S2Sn
inchikey: STOFNUJASTWSKI-UHFFFAOYSA-L
norman_susdat_id: NS00054411
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)C)(C)C)C
inchi:
InChI=1/2C4H8O2S.2CH3.Sn/c2*1-4(5)6-2-3-7;;;/h2*7H,2-3H2,1H3;2*1H3;/q;;;;+2/p-2/rC10H20O4S2Sn/c1-9(11)13-5-7-15-17(3,4)16-8-6-14-10(2)12/h5-8H2,1-4H3


name: 3-[2-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]propiononitrile
cas: 67874-57-1
dtxsid: DTXSID00867372
formula: C15H11Cl3N5O2
inchikey: YGSBFXRCXYKFGV-UHFFFAOYSA-N
norman_susdat_id: NS00054816
pubchem_cid: 105889
smiles: N#CCCNC1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C=C1Cl
inchi:
InChI=1/C15H10Cl3N5O2/c16-11-6-9(2-3-14(11)20-5-1-4-19)21-22-15-12(17)7-10(23(24)25)8-13(15)18/h2-3,6-8,20H,1,5H2


name: Disodium 5-[[4-[[[[4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]salicylate
cas: 67874-59-3
dtxsid: DTXSID70889869
formula: C26H20N6O7S
inchikey: ZQDLRMQXMSYIFI-UHFFFAOYSA-L
norman_susdat_id: NS00054817
pubchem_cid: 103181
inchi:
InChI=1/C26H20N6O7S.2Na/c33-24-13-12-21(15-23(24)25(34)35)32-30-19-10-6-17(7-11-19)28-26(36)27-16-4-8-18(9-5-16)29-31-20-2-1-3-22(14-20)40(37,38)39;;/h1-15,33H,(H,34,35)(H2,27,28,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 67874-60-6
dtxsid: DTXSID4070742
formula: C28H22N6O7
inchikey: AUMQNJSSSLVXEE-UHFFFAOYSA-L
norman_susdat_id: NS00054877
pubchem_cid: NA
name:
Disodium 5-[[4-[[[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methylsalicylate

inchi:
InChI=1/C28H22N6O7.2Na/c1-15-12-21(14-23(25(15)36)27(39)40)34-32-19-8-4-17(5-9-19)30-28(41)29-16-2-6-18(7-3-16)31-33-20-10-11-24(35)22(13-20)26(37)38;;/h2-14,35-36H,1H3,(H,37,38)(H,39,40)(H2,29,30,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(N=NC=4C=C(C(=O)[O-])C(O)=C(C4)C)C=C3)=CC=C1O


name: Disodium 3,3'-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxypropanesulphonate]
cas: 67874-62-8
dtxsid: DTXSID80889870
formula: C10H18O10S2
inchikey: VTHDORBZEOUGAZ-UHFFFAOYSA-L
norman_susdat_id: NS00055739
pubchem_cid: 106932
smiles: [Na+].[Na+].O=S(=O)([O-])CC(O)COCC#CCOCC(O)CS(=O)(=O)[O-]
inchi:
InChI=1/C10H18O10S2.2Na/c11-9(7-21(13,14)15)5-19-3-1-2-4-20-6-10(12)8-22(16,17)18;;/h9-12H,3-8H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2


name: Benzoic acid, 2-(decylideneamino)-, methyl ester
cas: 67874-67-3
chemspiderid: 95428
dtxsid: DTXSID9070743
formula: C18H27N1O2
inchikey: IKRROOGGEXPVSO-XDJHFCHBSA-N
norman_susdat_id: NS00012879
pubchem_cid: NA
smiles: CCCCCCCCCC=Nc1ccccc1C(=O)OC
inchi:
InChI=1S/C18H27NO2/c1-3-4-5-6-7-8-9-12-15-19-17-14-11-10-13-16(17)18(20)21-2/h10-11,13-15H,3-9,12H2,1-2H3


name: N-[2-[(2,4-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide
cas: 67874-70-8
dtxsid: DTXSID60886988
formula: C24H26N6O8
inchikey: MYRJIGORVBOITE-UHFFFAOYSA-N
norman_susdat_id: NS00055740
pubchem_cid: 105899
smiles: O=C(NC=1C=C(NCC(O)COC=2C=CC=CC2)C(OC)=CC1N=NC3=CC=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C24H24N6O8/c1-15(31)26-20-11-22(25-13-17(32)14-38-18-6-4-3-5-7-18)24(37-2)12-21(20)28-27-19-9-8-16(29(33)34)10-23(19)30(35)36/h3-12,17,25,32H,13-14H2,1-2H3,(H,26,31)


name: Bismuth tris(2-ethylhexanoate)
cas: 67874-71-9
formula: C8H16O2.1/3Bi
inchikey: YSHSHVHVNURLRI-UHFFFAOYSA-K
norman_susdat_id: NS00087293
smiles: [BiH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
inchi:
InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-6-7(4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3


name: 3,7-dimethyloctyl phenylacetate
cas: 67874-77-5
dtxsid: DTXSID50886992
formula: C18H28O2
inchikey: ZLNHKBABSKKKMS-UHFFFAOYSA-N
norman_susdat_id: NS00055801
pubchem_cid: 106936
smiles: O=C(OCCC(C)CCCC(C)C)CC=1C=CC=CC1
inchi:
InChI=1/C18H28O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3


name: 3,3-bis(4-hydroxyphenyl)phthalide, compound with 2-(diethylamino)ethanol (1:1)
cas: 67874-86-6
formula: C20H14O4.C6H15NO
inchikey: VAZCKEBLMFALSW-UHFFFAOYSA-N
norman_susdat_id: NS00087591
smiles: CCN(CC)CCO.Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
inchi:
InChI=1/C20H14O4.C6H15NO/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;1-3-7(4-2)5-6-8/h1-12,21-22H;8H,3-6H2,1-2H3


cas: 67874-99-1
formula: C20H43NO5S
norman_susdat_id: NS00101320
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(hexadecylimino)di-2,1-ethanediyl]bis-, monoammonium salt


name: Benzenamine, 4-[(2,6-dichloro-4-nitrophenyl)azo]-N,N-diethyl-
cas: 67875-01-8
chemspiderid: 95438
dtxsid: DTXSID4070746
formula: C16H16Cl2N4O2
inchikey: ITPXXHNVFVJOTN-UHFFFAOYSA-N
norman_susdat_id: NS00036247
pubchem_cid: 105908
smiles: CCN(CC)c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C16H16Cl2N4O2/c1-3-21(4-2)12-7-5-11(6-8-12)19-20-16-14(17)9-13(22(23)24)10-15(16)18/h5-10H,3-4H2,1-2H3/b20-19+


name: Sodium 4-[[4-[(4-ethoxyphenyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate
cas: 67875-02-9
dtxsid: DTXSID9070747
formula: C22H22N4O6S
inchikey: KFFWWEZDABCZCU-UHFFFAOYSA-M
norman_susdat_id: NS00055802
pubchem_cid: 105910
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC(OC)=C(N=NC3=CC=C(OCC)C=C3)C=C2OC)C=C1
inchi:
InChI=1/C22H22N4O6S.Na/c1-4-32-17-9-5-15(6-10-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-7-11-18(12-8-16)33(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1


name: Acetamide, N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
cas: 67875-05-2
chemspiderid: 95445
dtxsid: DTXSID8070750
formula: C21H19Br1N8O6
inchikey: IQWWXXQLHSFCJP-UHFFFAOYSA-N
norman_susdat_id: NS00036248
pubchem_cid: 105915
smiles: COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CCC#N)CCC#N
inchi:
InChI=1S/C21H19BrN8O6/c1-13(31)25-16-11-18(28(7-3-5-23)8-4-6-24)20(36-2)12-17(16)26-27-21-15(22)9-14(29(32)33)10-19(21)30(34)35/h9-12H,3-4,7-8H2,1-2H3,(H,25,31)/b27-26+


cas: 67875-06-3
dtxsid: DTXSID40889871
formula: C23H17ClN4O8S2
inchikey: VEKGKFKUKJZBHO-UHFFFAOYSA-L
norman_susdat_id: NS00054865
pubchem_cid: 171944
name:
Dipotassium 6-amino-5-[[5-[(3-chlorobenzoyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C23H17ClN4O8S2.2K/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-20(38(34,35)36)18(10-15)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22;;/h1-11,29H,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[K+].[K+].O=C(NC1=CC=C(C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C=4C=CC=C(Cl)C4


cas: 67875-07-4
dtxsid: DTXSID00889872
formula: C23H17ClN4O8S2
inchikey: AENIJTCZYLYYCX-UHFFFAOYSA-L
norman_susdat_id: NS00054460
pubchem_cid: 163157
name:
Disodium 6-amino-5-[[4-[(3-chlorobenzoyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C23H17ClN4O8S2.2Na/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-18(20(10-15)38(34,35)36)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22;;/h1-11,29H,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C=4C=CC=C(Cl)C4


name: Disodium 6-amino-5-[[4-(benzoylamino)-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 67875-08-5
dtxsid: DTXSID60889873
formula: C23H18N4O8S2
inchikey: MXGAXFHXDGKJBE-UHFFFAOYSA-L
norman_susdat_id: NS00054937
pubchem_cid: 171946
smiles: [Na+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-])C=4C=CC=CC4
inchi:
InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-15-7-9-18(20(11-15)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


cas: 67875-09-6
dtxsid: DTXSID20889874
formula: C40H32N10O13S3
inchikey: OPLVQYDZWCACHA-UHFFFAOYSA-K
norman_susdat_id: NS00054938
pubchem_cid: 171947
name:
Tripotassium 2,5-bis[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzamido]benzenesulphonate

inchi:
InChI=1/C40H32N10O13S3.3K/c1-22-35(39(53)49(47-22)29-12-16-31(17-13-29)64(55,56)57)45-43-26-7-3-24(4-8-26)37(51)41-28-11-20-33(34(21-28)66(61,62)63)42-38(52)25-5-9-27(10-6-25)44-46-36-23(2)48-50(40(36)54)30-14-18-32(19-15-30)65(58,59)60;;;/h3-21,35-36H,1-2H3,(H,41,51)(H,42,52)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].O=C(NC1=CC=C(NC(=O)C2=CC=C(N=NC3C(=O)N(N=C3C)C4=CC=C(C=C4)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-])C5=CC=C(N=NC6C(=O)N(N=C6C)C7=CC=C(C=C7)S(=O)(=O)[O-])C=C5


cas: 67875-10-9
dtxsid: DTXSID3070751
formula: C22H16ClN3O9S2
inchikey: JNWAORGDZSHRHU-UHFFFAOYSA-L
norman_susdat_id: NS00054939
pubchem_cid: 105917
name:
Disodium 1-amino-4-[4-[(chloroacetyl)amino]-3-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H16ClN3O9S2.2Na/c23-9-17(27)26-13-6-5-10(7-15(13)36(30,31)32)25-14-8-16(37(33,34)35)20(24)19-18(14)21(28)11-3-1-2-4-12(11)22(19)29;;/h1-8,25H,9,24H2,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(NC(=O)CCl)C(=C4)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


name: Sodium 8-anilino-5-[(3-chlorophenyl)azo]naphthalene-1-sulphonate
cas: 67875-11-0
dtxsid: DTXSID50887000
formula: C22H16ClN3O3S
inchikey: XMODKPLDAUSFGD-UHFFFAOYSA-M
norman_susdat_id: NS00054940
pubchem_cid: 105919
smiles: [Na+].O=S(=O)([O-])C1=CC=CC2=C(N=NC=3C=CC=C(Cl)C3)C=CC(NC=4C=CC=CC4)=C21
inchi:
InChI=1/C22H16ClN3O3S.Na/c23-15-6-4-9-17(14-15)25-26-19-12-13-20(24-16-7-2-1-3-8-16)22-18(19)10-5-11-21(22)30(27,28)29;/h1-14,24H,(H,27,28,29);/q;+1/p-1


cas: 67875-12-1
dtxsid: DTXSID10887001
formula: C20H15ClN4O4S
inchikey: LUHDBCVHMXGHJV-UHFFFAOYSA-M
norman_susdat_id: NS00054941
pubchem_cid: 105921
smiles: [K+].O=C1N(N=C(C)C1N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)[O-])C=4C=CC=CC4Cl
name:
Potassium 2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C20H15ClN4O4S.K/c1-12-18(20(26)25(24-12)17-9-5-4-8-15(17)21)23-22-16-11-10-13-6-2-3-7-14(13)19(16)30(27,28)29;/h2-11,18H,1H3,(H,27,28,29);/q;+1/p-1


name: Sodium 6-amino-5-[[4-(benzoylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 67875-13-2
dtxsid: DTXSID70887002
formula: C23H18N4O5S
inchikey: MSBPUELGAIOXEQ-UHFFFAOYSA-M
norman_susdat_id: NS00054461
pubchem_cid: 171950
smiles: [Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C=C1)C=4C=CC=CC4
inchi:
InChI=1/C23H18N4O5S.Na/c24-19-11-6-15-12-18(33(30,31)32)13-20(28)21(15)22(19)27-26-17-9-7-16(8-10-17)25-23(29)14-4-2-1-3-5-14;/h1-13,28H,24H2,(H,25,29)(H,30,31,32);/q;+1/p-1


name: Sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-[(o-tolyl)azo]naphthalene-2-sulphonate
cas: 67875-14-3
dtxsid: DTXSID30887003
formula: C27H27N5O5S
inchikey: ZLYJPZPHWVFCCK-UHFFFAOYSA-M
norman_susdat_id: NS00055803
pubchem_cid: 105923
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(C=C3)N(CCO)CCO)=CC=C(N=NC=4C=CC=CC4C)C2C1
inchi:
InChI=1/C27H27N5O5S.Na/c1-19-4-2-3-5-25(19)29-31-27-13-12-26(23-11-10-22(18-24(23)27)38(35,36)37)30-28-20-6-8-21(9-7-20)32(14-16-33)15-17-34;/h2-13,18,33-34H,14-17H2,1H3,(H,35,36,37);/q;+1/p-1


name: 4-[(3-sulphophenyl)azo]naphthalene-1-diazonium chloride
cas: 67875-15-4
dtxsid: DTXSID90887004
formula: C16H11N4O3S
inchikey: KZONSAAIKWTDBQ-UHFFFAOYSA-N
norman_susdat_id: NS00054487
pubchem_cid: 21118070
smiles: [Cl-].N#[N+]C1=CC=C(N=NC2=CC=CC(=C2)S(=O)(=O)O)C=3C=CC=CC13
inchi:
InChI=1/C16H10N4O3S.ClH/c17-18-15-8-9-16(14-7-2-1-6-13(14)15)20-19-11-4-3-5-12(10-11)24(21,22)23;/h1-10H;1H


name: Disodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[benzenesulphonate]
cas: 67875-16-5
dtxsid: DTXSID8070752
formula: C29H28N6O9S2
inchikey: ZIHNAPIDRXJQKX-UHFFFAOYSA-L
norman_susdat_id: NS00054942
pubchem_cid: 105927
inchi:
InChI=1/C29H28N6O9S2.2Na/c1-17-11-25(27(43-3)15-23(17)34-32-19-7-5-9-21(13-19)45(37,38)39)30-29(36)31-26-12-18(2)24(16-28(26)44-4)35-33-20-8-6-10-22(14-20)46(40,41)42;;/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=C(N=NC2=CC=CC(=C2)S(=O)(=O)[O-])C=C1OC)C)NC3=CC(=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C3OC)C


name: Disodium 6-[[4-[(4-ethoxyphenyl)azo]phenyl]azo]naphthalene-1,3-disulphonate
cas: 67875-17-6
dtxsid: DTXSID80889875
formula: C24H20N4O7S2
inchikey: AGBBNHKFMVBCJG-UHFFFAOYSA-L
norman_susdat_id: NS00054488
pubchem_cid: 105928
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(N=NC3=CC=C(N=NC4=CC=C(OCC)C=C4)C=C3)C=CC2=C(C1)S(=O)(=O)[O-]
inchi:
InChI=1/C24H20N4O7S2.2Na/c1-2-35-21-10-7-19(8-11-21)26-25-17-3-5-18(6-4-17)27-28-20-9-12-23-16(13-20)14-22(36(29,30)31)15-24(23)37(32,33)34;;/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: Sodium 8-anilino-5-[(2-chloro-4-nitrophenyl)azo]naphthalene-1-sulphonate
cas: 67875-18-7
dtxsid: DTXSID50887005
formula: C22H16ClN4O5S
inchikey: GLAKGNZILRWHRR-UHFFFAOYSA-M
norman_susdat_id: NS00054036
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=CC(NC=3C=CC=CC3)=C4C2C=CC=C4S(=O)(=O)[O-])C(Cl)=C1
inchi:
InChI=1/C22H15ClN4O5S.Na/c23-17-13-15(27(28)29)9-10-19(17)26-25-18-11-12-20(24-14-5-2-1-3-6-14)22-16(18)7-4-8-21(22)33(30,31)32;/h1-13,24H,(H,30,31,32);/q;+1/p-1


cas: 67875-19-8
dtxsid: DTXSID3070753
formula: C24H18N4O12S4
inchikey: IEUXFXYXYRJXLU-MBCFVHIPSA-J
norman_susdat_id: NS00052745
pubchem_cid: 6437165
name:
Tetrasodium 2-[4-[2-(4-amino-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-6,8-disulphonate

inchi:
InChI=1/C24H18N4O12S4.4Na/c25-15-5-3-13(21(9-15)42(32,33)34)1-2-14-4-6-16(10-22(14)43(35,36)37)28-26-20-8-7-18-19(24(20)27-28)11-17(41(29,30)31)12-23(18)44(38,39)40;;;;/h1-12H,25H2,(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=C2C3=NN(N=C3C=CC2=C(C1)S(=O)(=O)[O-])C4=CC=C(C=CC5=CC=C(N)C=C5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-]


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-pentylphenoxy)-
cas: 67875-20-1
chemspiderid: 95462
dtxsid: DTXSID8070754
formula: C25H23N1O4
inchikey: FMJLZDIPOPILLS-UHFFFAOYSA-N
norman_susdat_id: NS00036249
pubchem_cid: 105934
smiles: CCCCCc1ccc(Oc2c(N)c3c(c(O)c2)C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C25H23NO4/c1-2-3-4-7-15-10-12-16(13-11-15)30-20-14-19(27)21-22(23(20)26)25(29)18-9-6-5-8-17(18)24(21)28/h5-6,8-14,27H,2-4,7,26H2,1H3


name: Sodium 3-[[4-[(2-hydroxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 67875-21-2
dtxsid: DTXSID10887006
formula: C23H18N4O4S
inchikey: FICPDMYIUFTEEW-UHFFFAOYSA-M
norman_susdat_id: NS00053218
pubchem_cid: 105936
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC(=CC=C3O)C)C=4C=CC=CC24)C1
inchi:
InChI=1/C23H18N4O4S.Na/c1-15-9-12-23(28)22(13-15)27-26-21-11-10-20(18-7-2-3-8-19(18)21)25-24-16-5-4-6-17(14-16)32(29,30)31;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1


name: 2-methoxy-4-[(2-methoxy-5-sulphophenyl)azo]-5-methylbenzenediazonium chloride
cas: 67875-22-3
dtxsid: DTXSID70887007
formula: C15H15N4O5S
inchikey: GMYHNYHDXHJGMI-UHFFFAOYSA-N
norman_susdat_id: NS00053282
pubchem_cid: 105937
smiles: [Cl-].N#[N+]C1=CC(=C(N=NC2=CC(=CC=C2OC)S(=O)(=O)O)C=C1OC)C
inchi:
InChI=1/C15H14N4O5S.ClH/c1-9-6-12(17-16)15(24-3)8-11(9)18-19-13-7-10(25(20,21)22)4-5-14(13)23-2;/h4-8H,1-3H3;1H


cas: 67875-23-4
dtxsid: DTXSID40889876
formula: C32H26N6O13S4
inchikey: RFECDARYCDMXAT-RBVQGUHBSA-J
norman_susdat_id: NS00053219
pubchem_cid: 20838819
name:
Tetrasodium 2-[4-[2-[4-[(3-amino-2-methoxy-5-methylphenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-6,8-disulphonate

inchi:
InChI=1/C32H26N6O13S4.4Na/c1-17-11-25(33)32(51-2)27(12-17)35-34-20-7-5-18(28(13-20)53(42,43)44)3-4-19-6-8-21(14-29(19)54(45,46)47)38-36-26-10-9-23-24(31(26)37-38)15-22(52(39,40)41)16-30(23)55(48,49)50;;;;/h3-16H,33H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C2C3=NN(N=C3C=CC2=C(C1)S(=O)(=O)[O-])C4=CC=C(C=CC5=CC=C(N=NC=6C=C(C=C(N)C6OC)C)C=C5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-]


name: Sodium 3-[(4-aminophenyl)azo]-4-chlorobenzenesulphonate
cas: 67875-24-5
dtxsid: DTXSID3070755
formula: C12H10ClN3O3S
inchikey: LVTVPHDHZAQTKZ-UHFFFAOYSA-M
norman_susdat_id: NS00053220
pubchem_cid: 105942
smiles: [Na+].O=S(=O)([O-])C1=CC=C(Cl)C(N=NC2=CC=C(N)C=C2)=C1
inchi:
InChI=1/C12H10ClN3O3S.Na/c13-11-6-5-10(20(17,18)19)7-12(11)16-15-9-3-1-8(14)2-4-9;/h1-7H,14H2,(H,17,18,19);/q;+1/p-1


name: Disodium 2-[(2-amino-5-hydroxy-7-sulphonato-1-naphthyl)azo]-5-nitrobenzoate
cas: 67875-25-6
formula: C17H12N4O8S.2Na
inchikey: KRKMNMJMYIXXNO-UHFFFAOYSA-L
norman_susdat_id: NS00087054
smiles: [Na+].[Na+].[O-][N+](=O)c3ccc(N=Nc2c(N)ccc1c2cc(cc1O)S([O-])(=O)=O)c(c3)C([O-])=O
inchi:
InChI=1/C17H12N4O8S.2Na/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;;/h1-7,22H,18H2,(H,23,24)(H,27,28,29);;/q;2*+1/p-2


name: Disodium 6-[(4-aminophenyl)azo]naphthalene-1,3-disulphonate
cas: 67875-26-7
dtxsid: DTXSID00889877
formula: C16H13N3O6S2
inchikey: HAZCNZLBUITABT-UHFFFAOYSA-L
norman_susdat_id: NS00053221
pubchem_cid: 105945
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(N=NC3=CC=C(N)C=C3)C=CC2=C(C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H13N3O6S2.2Na/c17-11-1-3-12(4-2-11)18-19-13-5-6-15-10(7-13)8-14(26(20,21)22)9-16(15)27(23,24)25;;/h1-9H,17H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: Sodium 3-[[ethyl[4-[[4-(phenylazo)phenyl]azo]phenyl]amino]methyl]benzenesulphonate
cas: 67875-27-8
dtxsid: DTXSID3070757
formula: C27H25N5O3S
inchikey: NXCGLXZMZCZBAO-UHFFFAOYSA-M
norman_susdat_id: NS00054083
pubchem_cid: 171952
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)C=C2)CC
inchi:
InChI=1/C27H25N5O3S.Na/c1-2-32(20-21-7-6-10-27(19-21)36(33,34)35)26-17-15-25(16-18-26)31-30-24-13-11-23(12-14-24)29-28-22-8-4-3-5-9-22;/h3-19H,2,20H2,1H3,(H,33,34,35);/q;+1/p-1


cas: 67875-29-0
dtxsid: DTXSID30887008
formula: C16H12Cl2N4O5S
inchikey: QIJXFVQAUMMZCP-UHFFFAOYSA-M
norman_susdat_id: NS00053222
pubchem_cid: 105950
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(O)C=C2)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-]
name:
Sodium 2,5-dichloro-4-[4,5-dihydro-4-[(4-hydroxyphenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C16H12Cl2N4O5S.Na/c1-8-15(20-19-9-2-4-10(23)5-3-9)16(24)22(21-8)13-6-12(18)14(7-11(13)17)28(25,26)27;/h2-7,15,23H,1H3,(H,25,26,27);/q;+1/p-1


name: Disodium 3-[(4-amino-5-methoxy-o-tolyl)azo]naphthalene-1,5-disulphonate
cas: 67875-30-3
formula: C18H17N3O7S2.2Na
inchikey: AGQCDNFPYKDZBO-UHFFFAOYSA-L
norman_susdat_id: NS00086356
smiles: [Na+].[Na+].Nc1cc(C)c(cc1OC)N=Nc3cc2c(cccc2c(c3)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C18H17N3O7S2.2Na/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24;;/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 4-(phenylazo)naphthalene-1-diazonium chloride
cas: 67875-31-4
dtxsid: DTXSID90887009
formula: C16H11N4
inchikey: VPCXEADCNDDVOD-UHFFFAOYSA-M
norman_susdat_id: NS00053223
pubchem_cid: 105953
smiles: [Cl-].N#[N+]C1=CC=C(N=NC=2C=CC=CC2)C=3C=CC=CC13
inchi:
InChI=1/C16H11N4.ClH/c17-18-15-10-11-16(14-9-5-4-8-13(14)15)20-19-12-6-2-1-3-7-12;/h1-11H;1H/q+1;/p-1


name: 2,5-dimethoxy-4-[(4-sulphophenyl)azo]benzenediazonium chloride
cas: 67875-33-6
dtxsid: DTXSID60887011
formula: C14H13N4O5S
inchikey: SZIPUYPJOVNVAC-UHFFFAOYSA-N
norman_susdat_id: NS00052786
pubchem_cid: 105957
smiles: [Cl-].N#[N+]C1=CC(OC)=C(N=NC2=CC=C(C=C2)S(=O)(=O)O)C=C1OC
inchi:
InChI=1/C14H12N4O5S.ClH/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)24(19,20)21;/h3-8H,1-2H3;1H


cas: 67875-39-2
formula: C5H10O4
norman_susdat_id: NS00101548
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropyl]-.omega.-hydroxy-


name: 2-chloro-N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxovaleramide
cas: 67878-71-1
dtxsid: DTXSID00987241
formula: C29H48Cl2N2O4S
inchikey: HDEQFLUBPSWEDN-UHFFFAOYSA-N
norman_susdat_id: NS00054084
pubchem_cid: 3017804
smiles: O=C(NC1=CC(=CC=C1Cl)NS(=O)(=O)CCCCCCCCCCCCCCCC)C(Cl)C(=O)C(C)(C)C
inchi:
InChI=1/C29H48Cl2N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38(36,37)33-23-19-20-24(30)25(22-23)32-28(35)26(31)27(34)29(2,3)4/h19-20,22,26,33H,5-18,21H2,1-4H3,(H,32,35)


name: Caftaric acid
cas: 67879-58-7
chebiid: CHEBI:174975
chemspiderid: 4478081
dtxsid: DTXSID3036866
formula: C13H12O9
inchikey: SWGKAHCIOQPKFW-JTNORFRNSA-N
norman_susdat_id: NS00036250
pubchem_cid: 6440397
smiles: O[C@H]([C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1


name: 4-methyl-1-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1H-1,2,4-triazolium methyl sulphate
cas: 67883-54-9
dtxsid: DTXSID80987249
formula: C16H13N3O2
inchikey: AYNBKCZAEFIFAV-UHFFFAOYSA-N
norman_susdat_id: NS00054085
pubchem_cid: 57352571
smiles: O=C1OC2=CC=C3C=CC=CC3=C2C=C1[NH+]4N=CN(C)C4.O=S(=O)([O-])OC
inchi:
InChI=1/C16H13N3O2.CH4O4S/c1-18-9-17-19(10-18)14-8-13-12-5-3-2-4-11(12)6-7-15(13)21-16(14)20;1-5-6(2,3)4/h2-9H,10H2,1H3;1H3,(H,2,3,4)


name: 1,3-dimethylbutyl hydrogen phosphorodithioate, compound with (Z)-9-octadecen-1-amine (1:1)
cas: 67892-36-8
formula: C18H37N.C12H27O2PS2
inchikey: CYIXKFLDYHJOHM-KVVVOXFISA-M
norman_susdat_id: NS00087068
smiles: CCCCCCCC\C=C/CCCCCCCCN.CC(C)CC(C)OP(=O)(S)[S-]
inchi:
InChI=1/C18H37N.C6H15O2PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2)4-6(3)8-9(7,10)11/h9-10H,2-8,11-19H2,1H3;5-6H,4H2,1-3H3,(H2,7,10,11)/p-1


name: 1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium
cas: 67892-37-9
dtxsid: DTXSID10893622
formula: C25H47N2O3
inchikey: HZQUHSAZKBXDKE-UHFFFAOYSA-N
norman_susdat_id: NS00052787
pubchem_cid: 105961
smiles: O=C([O-])CC[N+]1(C(=NCC1)CCCCCCCC=CCCCCCCCC)CCO
inchi:
InChI=1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30/h9-10,28H,2-8,11-23H2,1H3


name: Barium bis[3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate]
cas: 67892-38-0
dtxsid: DTXSID7070763
formula: C18H15ClN2O4S
inchikey: DKPXLHIXTTUWPN-UHFFFAOYSA-L
norman_susdat_id: NS00054100
pubchem_cid: NA
inchi:
InChI=1/2C18H15ClN2O4S.Ba/c2*1-2-13-15(19)9-12(26(23,24)25)10-16(13)20-21-18-14-6-4-3-5-11(14)7-8-17(18)22;/h2*3-10,22H,2H2,1H3,(H,23,24,25);/q;;+2/p-2

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


name: Strontium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1)
cas: 67892-39-1
dtxsid: DTXSID2070764
formula: C18H13ClN2O6S
inchikey: JGEMCYQAAYQHRW-UHFFFAOYSA-L
norman_susdat_id: NS00052788
pubchem_cid: 105966
smiles: O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC(=CC(Cl)=C3C)S(=O)(=O)[O-])=C1O.[SrH2]
inchi:
InChI=1/C18H13ClN2O6S.Sr.2H/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;;/q;+2;;/p-2/rC18H13ClN2O6S.H2Sr/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);1H2/q;+2/p-2


name: Calcium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 67892-40-4
formula: C18H13ClN2O6S.Ca
inchikey: JATZAHVTOPMNOD-UHFFFAOYSA-L
norman_susdat_id: NS00086082
smiles: [Ca+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O
inchi:
InChI=1/C18H13ClN2O6S.Ca/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Barium 4-[(3-chloro-2-methyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 67892-41-5
formula: C18H13ClN2O6S.Ba
inchikey: PAGRXMTWCMCELN-UHFFFAOYSA-L
norman_susdat_id: NS00086342
smiles: [Ba+2].Cc3c(N=Nc1c2ccccc2cc(C([O-])=O)c1O)cc(cc3Cl)S([O-])(=O)=O
inchi:
InChI=1/C18H13ClN2O6S.Ba/c1-9-14(19)7-11(28(25,26)27)8-15(9)20-21-16-12-5-3-2-4-10(12)6-13(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2-methyl-
cas: 67892-42-6
chemspiderid: 95481
dtxsid: DTXSID7070767
formula: C25H12N2O4
inchikey: ZXEZSSQZWHFUTK-UHFFFAOYSA-N
norman_susdat_id: NS00036251
pubchem_cid: 105969
smiles: Cn1c(=O)c2ccc3c4ccc5c(=O)[nH]c(=O)c6c5c4c(cc6)c4c3c2c(cc4)c1=O
inchi:
InChI=1S/C25H12N2O4/c1-27-24(30)16-8-4-12-10-2-6-14-20-15(23(29)26-22(14)28)7-3-11(18(10)20)13-5-9-17(25(27)31)21(16)19(12)13/h2-9H,1H3,(H,26,28,29)


name: Barium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate
cas: 67892-47-1
formula: C20H14N2O7S2.Ba
inchikey: VMXHOYVAGBSOEU-UHFFFAOYSA-L
norman_susdat_id: NS00087070
smiles: [Ba+2].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O
inchi:
InChI=1/C20H14N2O7S2.Ba/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


name: Calcium 4-[(3-chloro-2-ethyl-5-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 67892-49-3
dtxsid: DTXSID6070774
formula: C19H15ClN2O6S
inchikey: CFHVVACOVKOSIQ-UHFFFAOYSA-L
norman_susdat_id: NS00054125
pubchem_cid: 105977
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC(=CC(Cl)=C3CC)S(=O)(=O)[O-])=C1O
inchi:
InChI=1/C19H15ClN2O6S.Ca/c1-2-12-15(20)8-11(29(26,27)28)9-16(12)21-22-17-13-6-4-3-5-10(13)7-14(18(17)23)19(24)25;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2


name: Barium bis[2-chloro-6-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 67892-50-6
dtxsid: DTXSID1070775
formula: C17H13ClN2O4S
inchikey: PMSXJJRVZZKRRK-UHFFFAOYSA-L
norman_susdat_id: NS00054132
pubchem_cid: NA
inchi:
InChI=1/2C17H13ClN2O4S.Ba/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:
[Ba+2].O=S(=O)([O-])C1=CC(Cl)=C(C(N=NC2=C(O)C=CC=3C=CC=CC32)=C1)C.O=S(=O)([O-])C1=CC(Cl)=C(C(N=NC2=C(O)C=CC=3C=CC=CC32)=C1)C


name: Tetrakis[(phosphonooxy)methyl]urea
cas: 67892-52-8
chemspiderid: 91456
dtxsid: DTXSID1070777
formula: C5H16N2O17P4
inchikey: VKUHDPIXVOOUAH-UHFFFAOYSA-N
norman_susdat_id: NS00036256
pubchem_cid: 105980
smiles: OP(=O)(O)OCN(COP(=O)(O)O)C(=O)N(COP(=O)(O)O)COP(=O)(O)O
inchi:
InChI=1S/C5H16N2O17P4/c8-5(6(1-21-25(9,10)11)2-22-26(12,13)14)7(3-23-27(15,16)17)4-24-28(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)


name: N,N''-(methyl-m-phenylene)bis[N'-(1-methyltetradecyl)urea]
cas: 67892-53-9
dtxsid: DTXSID90987255
formula: C39H72N4O2
inchikey: FXELAOIQWZLGSE-UHFFFAOYSA-N
norman_susdat_id: NS00054133
pubchem_cid: 171962
smiles: O=C(NC1=CC=CC(NC(=O)NC(C)CCCCCCCCCCCCC)=C1C)NC(C)CCCCCCCCCCCCC
inchi:
InChI=1/C39H72N4O2/c1-6-8-10-12-14-16-18-20-22-24-26-29-33(3)40-38(44)42-36-31-28-32-37(35(36)5)43-39(45)41-34(4)30-27-25-23-21-19-17-15-13-11-9-7-2/h28,31-34H,6-27,29-30H2,1-5H3,(H2,40,42,44)(H2,41,43,45)


name: Dichlorodocosylmethylsilane
cas: 67892-56-2
dtxsid: DTXSID40887014
formula: C23H48Cl2Si
inchikey: XJNNFXAJDSSMBZ-UHFFFAOYSA-N
norman_susdat_id: NS00053356
pubchem_cid: 105981
smiles: Cl[Si](Cl)(C)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H48Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(2,24)25/h3-23H2,1-2H3


name: Tetrasodium 4,4'-[(1-methylethylidene)bis(1,4-phenyleneoxy)]bisphthalate
cas: 67892-57-3
formula: C31H24O10.4Na
inchikey: OMMYRRROPNMZAF-UHFFFAOYSA-J
norman_susdat_id: NS00086368
inchi:
InChI=1/C31H24O10.4Na/c1-31(2,17-3-7-19(8-4-17)40-21-11-13-23(27(32)33)25(15-21)29(36)37)18-5-9-20(10-6-18)41-22-12-14-24(28(34)35)26(16-22)30(38)39;;;;/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].CC(C)(c1ccc(Oc2ccc(C(=O)[O-])c(c2)C(=O)[O-])cc1)c3ccc(Oc4ccc(C(=O)[O-])c(c4)C(=O)[O-])cc3


name: 1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate
cas: 67892-67-5
dtxsid: DTXSID50987256
formula: C11H12N4
inchikey: SDVOYVROPZNEJQ-UHFFFAOYSA-N
norman_susdat_id: NS00052813
pubchem_cid: 21118073
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.N=1C=2C=CC=CC2N=C3C1N(C)C[NH+]3C
inchi:
InChI=1/C11H12N4.C7H8O3S/c1-14-7-15(2)11-10(14)12-8-5-3-4-6-9(8)13-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7H2,1-2H3;2-5H,1H3,(H,8,9,10)


cas: 67892-96-0
dtxsid: DTXSID20904410
formula: C20H23N7O5S
inchikey: RVKPGMXFJPHWGF-UHFFFAOYSA-M
norman_susdat_id: NS00052831
pubchem_cid: 163161
smiles: [Na+].O=S(=O)([O-])CCN(C=1N=C(N=C(N1)NC2=CC=C(N=NC3=CC(=CC=C3O)C)C=C2)OC)C
name:
Sodium 2-[[4-[[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]amino]-6-methoxy-1,3,5-triazin-2-yl]methylamino]ethanesulphonate

inchi:
InChI=1/C20H23N7O5S.Na/c1-13-4-9-17(28)16(12-13)26-25-15-7-5-14(6-8-15)21-18-22-19(24-20(23-18)32-3)27(2)10-11-33(29,30)31;/h4-9,12,28H,10-11H2,1-3H3,(H,29,30,31)(H,21,22,23,24);/q;+1/p-1


name: 3-hydroxy-4-[[2-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonamide
cas: 67892-97-1
dtxsid: DTXSID0070782
formula: C17H16N4O6S2
inchikey: XRGSXTJQRFQENP-UHFFFAOYSA-N
norman_susdat_id: NS00053359
pubchem_cid: 105993
smiles: O=S(=O)(N)C1=CC=C(N=NC2=C(O)C=CC3=CC=CC(NS(=O)(=O)C)=C32)C(O)=C1
inchi:
InChI=1/C17H16N4O6S2/c1-28(24,25)21-13-4-2-3-10-5-8-14(22)17(16(10)13)20-19-12-7-6-11(9-15(12)23)29(18,26)27/h2-9,21-23H,1H3,(H2,18,26,27)


cas: 67892-98-2
chemspiderid: 17287954
dtxsid: DTXSID5070783
formula: C56H32N4O8
inchikey: SKYMWPITQOCWOG-UHFFFAOYSA-N
norman_susdat_id: NS00036259
pubchem_cid: 16131244
name:
Benzamide, N,N'-[(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis[imino(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)]]bis-

inchi:
InChI=1S/C56H32N4O8/c61-49-31-17-7-9-19-33(31)51(63)47-41(59-55(67)29-13-3-1-4-14-29)27-25-39(45(47)49)57-37-23-11-21-35-43(37)53(65)36-22-12-24-38(44(36)54(35)66)58-40-26-28-42(60-56(68)30-15-5-2-6-16-30)48-46(40)50(62)32-18-8-10-20-34(32)52(48)64/h1-28,57-58H,(H,59,67)(H,60,68)

smiles:
O=C(Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cccc3c2C(=O)c2c(c(Nc4c5C(=O)c6c(cccc6)C(=O)c5c(NC(=O)c5ccccc5)cc4)ccc2)C3=O)cc1)c1ccccc1


name: 16-(tetrahydro-2-furyl)-3,6,9,12,15-pentaoxahexadecyl acrylate
cas: 67892-99-3
dtxsid: DTXSID60887016
formula: C18H32O8
inchikey: CTVTVTUUJWVDSV-UHFFFAOYSA-N
norman_susdat_id: NS00054134
pubchem_cid: 105994
smiles: O=C(OCCOCCOCCOCCOCCOCC1OCCC1)C=C
inchi:
InChI=1/C18H32O8/c1-2-18(19)26-15-14-23-11-10-21-7-6-20-8-9-22-12-13-24-16-17-4-3-5-25-17/h2,17H,1,3-16H2


name: 2-Propenoic acid, 1,3,5-triazine-2,4,6-triyltri-2,1-ethanediyl ester
cas: 67893-00-9
chemspiderid: 72780
dtxsid: DTXSID0070784
formula: C18H21N3O6
inchikey: GAZROXINNVTWDF-UHFFFAOYSA-N
norman_susdat_id: NS00020225
pubchem_cid: 105995
smiles: C=CC(=O)OCCc1nc(CCOC(=O)C=C)nc(CCOC(=O)C=C)n1
inchi:
InChI=1S/C18H21N3O6/c1-4-16(22)25-10-7-13-19-14(8-11-26-17(23)5-2)21-15(20-13)9-12-27-18(24)6-3/h4-6H,1-3,7-12H2


cas: 67893-02-1
chemspiderid: 45353
dtxsid: DTXSID10867388
formula: C21H34O2
inchikey: YUBSLXLMZVQYAG-UHFFFAOYSA-N
norman_susdat_id: NS00013853
pubchem_cid: 49998
smiles: COC(=O)C1(C)CCCC2(C)C3CCC(CC3=CCC12)C(C)C
name:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester

inchi:
InChI=1S/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,14-15,17-18H,6-7,9-13H2,1-5H3


name: Ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
cas: 67893-08-7
dtxsid: DTXSID70887022
formula: C19H29NO3
inchikey: XVBLHUKRTCOMPF-UHFFFAOYSA-N
norman_susdat_id: NS00054136
pubchem_cid: 106948
smiles: O=C(OCC)C1=CC=C(N=CCC(C)CCCC(O)(C)C)C=C1
inchi:
InChI=1/C19H29NO3/c1-5-23-18(21)16-8-10-17(11-9-16)20-14-12-15(2)7-6-13-19(3,4)22/h8-11,14-15,22H,5-7,12-13H2,1-4H3


name: Dipotassium 2-[(carboxylatomethyl)amino]benzoate
cas: 67893-41-8
formula: C9H9NO4.2K
inchikey: TVYHQNJYGREIOE-UHFFFAOYSA-L
norman_susdat_id: NS00086431
smiles: [K+].[K+].[O-]C(=O)CNc1ccccc1C(=O)[O-]
inchi:
InChI=1/C9H9NO4.2K/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14;;/h1-4,10H,5H2,(H,11,12)(H,13,14);;/q;2*+1/p-2


name: Disodium 4-[2-[(12-hydroxy-1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate
cas: 67893-42-9
dtxsid: DTXSID20889879
formula: C24H43NO9S
inchikey: REIVZOOGBSSPEG-UHFFFAOYSA-L
norman_susdat_id: NS00053290
pubchem_cid: 93371
smiles: [Na+].[Na+].O=C(OCCNC(=O)CCCCCCCC=CCC(O)CCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-23(28)19-21(24(29)30)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Sodium [3-[4-(benzoylamino)-2,5-diethoxyphenyl]-1-methyl-2-triazenyl]acetate
cas: 67893-44-1
dtxsid: DTXSID5070787
formula: C20H24N4O5
inchikey: JRNXKGFDRGOWLX-UHFFFAOYSA-M
norman_susdat_id: NS00053377
pubchem_cid: 106008
smiles: [Na+].O=C([O-])CN(N=NC=1C=C(OCC)C(=CC1OCC)NC(=O)C=2C=CC=CC2)C
inchi:
InChI=1/C20H24N4O5.Na/c1-4-28-17-12-16(22-23-24(3)13-19(25)26)18(29-5-2)11-15(17)21-20(27)14-9-7-6-8-10-14;/h6-12H,4-5,13H2,1-3H3,(H,21,27)(H,25,26);/q;+1/p-1


name: 6-amino-3-[(4-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 67893-45-2
dtxsid: DTXSID0070788
formula: C16H14N4O4S
inchikey: ZCVNCZPTVCNNOD-UHFFFAOYSA-N
norman_susdat_id: NS00052834
pubchem_cid: 106009
smiles: O=S(=O)(O)C=1C=C2C=CC(N)=CC2=C(O)C1N=NC3=CC=C(N)C=C3
inchi:
InChI=1/C16H14N4O4S/c17-10-3-5-12(6-4-10)19-20-15-14(25(22,23)24)7-9-1-2-11(18)8-13(9)16(15)21/h1-8,21H,17-18H2,(H,22,23,24)


name: Sodium 3-[[4-acetamidophenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate
cas: 67893-46-3
dtxsid: DTXSID5070789
formula: C18H16N4O5S
inchikey: DOSPQUHZDXMGRZ-UHFFFAOYSA-M
norman_susdat_id: NS00053378
pubchem_cid: 106011
smiles: [Na+].O=C(NC1=CC=C(N=NC2=C(O)C3=CC(N)=CC=C3C=C2S(=O)(=O)[O-])C=C1)C
inchi:
InChI=1/C18H16N4O5S.Na/c1-10(23)20-13-4-6-14(7-5-13)21-22-17-16(28(25,26)27)8-11-2-3-12(19)9-15(11)18(17)24;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1


name: Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-
cas: 67893-47-4
chemspiderid: 72983
dtxsid: DTXSID4070790
formula: C22H18N2O5S1
inchikey: XPKVNPZDTLYFGX-UHFFFAOYSA-N
norman_susdat_id: NS00036261
pubchem_cid: 80836
smiles: CNc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2c(cc(C)cc2)S(=O)(=O)O)cc1
inchi:
InChI=1S/C22H18N2O5S/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25/h3-11,23-24H,1-2H3,(H,27,28,29)


cas: 67893-48-5
dtxsid: DTXSID9070791
formula: C27H24N6O6S
inchikey: QPZWGYNLLYWYRP-UHFFFAOYSA-L
norman_susdat_id: NS00052835
pubchem_cid: 106013
name:
Disodium 5-[[4'-[(2,4-diamino-5-sulphonatophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C27H24N6O6S.2Na/c1-14-9-16(3-6-22(14)31-30-18-5-8-25(34)19(11-18)27(35)36)17-4-7-23(15(2)10-17)32-33-24-13-26(40(37,38)39)21(29)12-20(24)28;;/h3-13,34H,28-29H2,1-2H3,(H,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC=4C=C(C(N)=CC4N)S(=O)(=O)[O-])C(=C3)C)=CC=C1O


name: Disodium 7-[(4-aminophenyl)azo]naphthalene-1,3-disulphonate
cas: 67893-49-6
dtxsid: DTXSID30889880
formula: C16H13N3O6S2
inchikey: GUUOUNHZVBVBSE-UHFFFAOYSA-L
norman_susdat_id: NS00052836
pubchem_cid: 106014
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N=NC3=CC=C(N)C=C3)C=C2C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H13N3O6S2.2Na/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25;;/h1-9H,17H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: (S)-N-FMOC-4-fluorophenylglycine
cas: 678988-18-6
chemspiderid: 2016220
formula: C23H18F1N1O4
inchikey: UUEGPRZUDVECNF-NRFANRHFSA-N
norman_susdat_id: NS00015504
pubchem_cid: 2734469
smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC=C(C=C4)F)C(=O)O
inchi:
InChI=1S/C23H18FNO4/c24-15-11-9-14(10-12-15)21(22(26)27)25-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13H2,(H,25,28)(H,26,27)/t21-/m0/s1


name: (-)-Ambroxide
cas: 6790-58-5
chebiid: CHEBI:78307
dtxsid: DTXSID0047113
formula: C16H28O
inchikey: YPZUZOLGGMJZJO-LQKXBSAESA-N
norman_susdat_id: NS00096106
smiles: C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CCO2
inchi:
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1


name: Magnesium 3-nitronaphthalene-1,5-disulphonate
cas: 67900-54-3
formula: C10H7NO8S2.Mg
inchikey: PBCIEASBGOILTL-UHFFFAOYSA-L
norman_susdat_id: NS00086450
smiles: [Mg+2].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H7NO8S2.Mg/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;/h1-5H,(H,14,15,16)(H,17,18,19);/q;+2/p-2


name: 9,10-Anthracenedione, 1-amino-5,8-dihydroxy-4-[(2-hydroxyethyl)amino]-
cas: 67905-11-7
chemspiderid: 95513
dtxsid: DTXSID4070794
formula: C16H14N2O5
inchikey: FKAQSUQGHZYXTL-UHFFFAOYSA-N
norman_susdat_id: NS00036263
pubchem_cid: 106019
smiles: Nc1ccc(NCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O
inchi:
InChI=1S/C16H14N2O5/c17-7-1-2-8(18-5-6-19)12-11(7)15(22)13-9(20)3-4-10(21)14(13)16(12)23/h1-4,18-21H,5-6,17H2


name: [4-[[4-(diethylamino)-2-methylphenyl]azo]phenacyl]trimethylammonium chloride
cas: 67905-12-8
dtxsid: DTXSID30887023
formula: C22H31N4O
inchikey: DKBLEALIIXWHPE-UHFFFAOYSA-M
norman_susdat_id: NS00052855
pubchem_cid: 106020
smiles: [Cl-].O=C(C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CC)C=C1)C[N+](C)(C)C
inchi:
InChI=1/C22H31N4O.ClH/c1-7-25(8-2)20-13-14-21(17(3)15-20)24-23-19-11-9-18(10-12-19)22(27)16-26(4,5)6;/h9-15H,7-8,16H2,1-6H3;1H/q+1;/p-1


cas: 67905-16-2
chemspiderid: 21162499
dtxsid: DTXSID9070797
formula: C23H25Br1N6O10
inchikey: YEPMXIKNGPVWRP-UHFFFAOYSA-N
norman_susdat_id: NS00036264
pubchem_cid: 106024
smiles: COC(=O)CCN(CCOC(=O)C)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-, methyl ester

inchi:
InChI=1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+


name: Acetamide, N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]-
cas: 67905-17-3
chemspiderid: 95519
dtxsid: DTXSID4070798
formula: C22H16N2O4
inchikey: DAPGHBPTUCXSRG-UHFFFAOYSA-N
norman_susdat_id: NS00021328
pubchem_cid: 106025
smiles: CC(=O)Nc1ccc(Nc2ccc(O)c3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C22H16N2O4/c1-12(25)23-13-6-8-14(9-7-13)24-17-10-11-18(26)20-19(17)21(27)15-4-2-3-5-16(15)22(20)28/h2-11,24,26H,1H3,(H,23,25)


name: Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
cas: 67905-18-4
chemspiderid: 2299183
dtxsid: DTXSID9070799
formula: C31H27N3O6
inchikey: OWKBILOEFQPKBZ-UHFFFAOYSA-N
norman_susdat_id: NS00036265
pubchem_cid: 106026
smiles: CCOC(=O)/C(=C(C#N)/c1ccc(cc1)N(CCOC(=O)c1ccccc1)CCOC(=O)c1ccccc1)/C#N
inchi:
InChI=1S/C31H27N3O6/c1-2-38-31(37)28(22-33)27(21-32)23-13-15-26(16-14-23)34(17-19-39-29(35)24-9-5-3-6-10-24)18-20-40-30(36)25-11-7-4-8-12-25/h3-16H,2,17-20H2,1H3/b28-27+


name: Perfluorohexadecanoic acid (PFHxDA)
cas: 67905-19-5
chemspiderid: 95520
dtxsid: DTXSID1070800
formula: C16H1F31O2
inchikey: OJMBMWRMTMHMSZ-UHFFFAOYSA-N
norman_susdat_id: NS00011276
pubchem_cid: 106027
inchi:
InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)

smiles:
O=C(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)O


name: 4,4-dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannaundecyl propionate
cas: 67905-21-9
dtxsid: DTXSID90887024
formula: C12H24O4S2Sn
inchikey: VEQLFJGAGYWYIR-UHFFFAOYSA-L
norman_susdat_id: NS00053403
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)CC)(C)C)CC
inchi:
InChI=1/2C5H10O2S.2CH3.Sn/c2*1-2-5(6)7-3-4-8;;;/h2*8H,2-4H2,1H3;2*1H3;/q;;;;+2/p-2/rC12H24O4S2Sn/c1-5-11(13)15-7-9-17-19(3,4)18-10-8-16-12(14)6-2/h5-10H2,1-4H3


name: 4-butyl-9-oxo-4-[[2-(propionyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannaundecyl propionate
cas: 67905-22-0
dtxsid: DTXSID50887025
formula: C19H36O6S3Sn
inchikey: RUCNLZXIXRXWCC-UHFFFAOYSA-K
norman_susdat_id: NS00053404
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)CC)(SCCOC(=O)CC)CCCC)CC
inchi:
InChI=1/3C5H10O2S.C4H9.Sn/c3*1-2-5(6)7-3-4-8;1-3-4-2;/h3*8H,2-4H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC19H36O6S3Sn/c1-5-9-16-29(26-13-10-23-17(20)6-2,27-14-11-24-18(21)7-3)28-15-12-25-19(22)8-4/h5-16H2,1-4H3


cas: 67905-25-3
dtxsid: DTXSID10887026
formula: C54H113N2O4
inchikey: NXUBTWSETLKQJZ-UHFFFAOYSA-M
norman_susdat_id: NS00052871
pubchem_cid: 171972
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCN(CC(O)CCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCC
name:
[2-[bis(2-hydroxyhexadecyl)amino]ethyl]ethyl(2-hydroxyethyl)(2-hydroxyhexadecyl)ammonium ethyl sulphate

inchi:
InChI=1/C54H113N2O4.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-52(58)49-55(50-53(59)43-40-37-34-31-28-25-22-19-16-13-10-6-2)45-46-56(8-4,47-48-57)51-54(60)44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h52-54,57-60H,5-51H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Aluminium triacontan-1-olate
cas: 67905-26-4
dtxsid: DTXSID2029400
formula: C30H62O
inchikey: FHGOJCXFPBMHRY-UHFFFAOYSA-N
norman_susdat_id: NS00053340
pubchem_cid: 106031
inchi:
InChI=1/3C30H61O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;/h3*2-30H2,1H3;/q3*-1;+3

smiles:
[Al+3].[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC


name: Aluminium tri(octacosanolate)
cas: 67905-27-5
dtxsid: DTXSID3028346
formula: C28H58O
inchikey: WFYYEDFTTMWDQX-UHFFFAOYSA-N
norman_susdat_id: NS00052872
pubchem_cid: 106032
inchi:
InChI=1/3C28H57O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29;/h3*2-28H2,1H3;/q3*-1;+3

smiles:
[Al+3].[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCCCC


name: Aluminium trihexacosanolate
cas: 67905-28-6
dtxsid: DTXSID8028347
formula: C26H54O
inchikey: AGINRTNXYIUVJD-UHFFFAOYSA-N
norman_susdat_id: NS00053341
pubchem_cid: 106033
smiles: [Al+3].[O-]CCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C26H53O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27;/h3*2-26H2,1H3;/q3*-1;+3


name: Aluminium tetracosanolate
cas: 67905-29-7
dtxsid: DTXSID3028348
formula: C24H50O
inchikey: RHNBBIGKLDVFGK-UHFFFAOYSA-N
norman_susdat_id: NS00053342
pubchem_cid: 106034
smiles: [Al+3].[O-]CCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C24H49O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;/h3*2-24H2,1H3;/q3*-1;+3


name: Aluminium tridocosanolate
cas: 67905-30-0
dtxsid: DTXSID8028349
formula: C22H46O
inchikey: ONYTVGOUGQELKQ-UHFFFAOYSA-N
norman_susdat_id: NS00053343
pubchem_cid: 106035
smiles: [Al+3].[O-]CCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C22H45O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23;/h3*2-22H2,1H3;/q3*-1;+3


name: Aluminium tri(icosanolate)
cas: 67905-31-1
dtxsid: DTXSID7028350
formula: C20H42O
inchikey: ILQJMJYHYAFKRS-UHFFFAOYSA-N
norman_susdat_id: NS00053344
pubchem_cid: 106036
smiles: [Al+3].[O-]CCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCC.[O-]CCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C20H41O.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h3*2-20H2,1H3;/q3*-1;+3


name: 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-cyclododecyl-
cas: 67905-34-4
chemspiderid: 95531
dtxsid: DTXSID6070803
formula: C20H23Cl4N1O2
inchikey: KWXOAJZZMNBESJ-UHFFFAOYSA-N
norman_susdat_id: NS00036267
pubchem_cid: 106039
smiles: Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)N(C1CCCCCCCCCCC1)C2=O
inchi:
InChI=1S/C20H23Cl4NO2/c21-15-13-14(16(22)18(24)17(15)23)20(27)25(19(13)26)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2


name: Benzoic acid, 2,3,4,5-tetrachloro-6-[(dihexylamino)carbonyl]-
cas: 67905-38-8
chemspiderid: 95535
dtxsid: DTXSID6070807
formula: C20H27Cl4N1O3
inchikey: DOVOIHLVRGFQDQ-UHFFFAOYSA-N
norman_susdat_id: NS00036271
pubchem_cid: 106043
smiles: CCCCCCN(CCCCCC)C(=O)c1c(C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C20H27Cl4NO3/c1-3-5-7-9-11-25(12-10-8-6-4-2)19(26)13-14(20(27)28)16(22)18(24)17(23)15(13)21/h3-12H2,1-2H3,(H,27,28)


name: Tris(triacontyl)aluminium
cas: 67905-39-9
formula: C90H183Al
inchikey: OTCQQXOJHPHEEX-UHFFFAOYSA-N
norman_susdat_id: NS00086401
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C30H61.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-30H2,2H3;/rC90H183Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-82-85-88-91(89-86-83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)90-87-84-81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-90H2,1-3H3


name: Oxiranecarboxylic acid, 3-methyl-3-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-, methyl ester
cas: 67905-40-2
chemspiderid: 57440302
dtxsid: DTXSID00867392
formula: C16H24O3
inchikey: WOCOGWMEEYJGLH-CSKARUKUSA-N
norman_susdat_id: NS00012931
pubchem_cid: 5472296
smiles: COC(=O)C1OC1(C)C=CC2C(=CCCC2(C)C)C
inchi:
InChI=1S/C16H24O3/c1-11-7-6-9-15(2,3)12(11)8-10-16(4)13(19-16)14(17)18-5/h7-8,10,12-13H,6,9H2,1-5H3/b10-8+


name: Tetratriacontyl methacrylate
cas: 67905-42-4
chemspiderid: 95538
dtxsid: DTXSID6070809
formula: C38H74O2
inchikey: OIUCPPFBFOLPIO-UHFFFAOYSA-N
norman_susdat_id: NS00036272
pubchem_cid: 106046
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
inchi:
InChI=1S/C38H74O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-40-38(39)37(2)3/h2,4-36H2,1,3H3


name: 9,10-Anthracenedione, 1-methoxy-4-[(4-methylphenyl)amino]-
cas: 67905-52-6
chemspiderid: 95541
dtxsid: DTXSID0070811
formula: C22H17N1O3
inchikey: BWOZYUXKRAILOH-UHFFFAOYSA-N
norman_susdat_id: NS00036274
pubchem_cid: 106049
smiles: COc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C22H17NO3/c1-13-7-9-14(10-8-13)23-17-11-12-18(26-2)20-19(17)21(24)15-5-3-4-6-16(15)22(20)25/h3-12,23H,1-2H3


name: Disodium 4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxynaphthalene-2,7-disulphonate
cas: 67905-53-7
dtxsid: DTXSID90889881
formula: C19H11Cl2N3O8S2
inchikey: FXZLQOBYWBJERC-UHFFFAOYSA-L
norman_susdat_id: NS00055685
pubchem_cid: 106051
smiles: [Na+].[Na+].O=C(NC=1C=C(C=C2C=C(C=C(O)C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C3=CC=C4N=C(Cl)C(Cl)=NC4=C3
inchi:
InChI=1/C19H11Cl2N3O8S2.2Na/c20-17-18(21)23-13-5-8(1-2-12(13)22-17)19(26)24-14-6-10(33(27,28)29)3-9-4-11(34(30,31)32)7-15(25)16(9)14;;/h1-7,25H,(H,24,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: N-[2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-inden-5-yl]acetamide
cas: 67905-54-8
dtxsid: DTXSID60887031
formula: C20H14N2O4
inchikey: PJFVJUNLDVPCGU-UHFFFAOYSA-N
norman_susdat_id: NS00056224
pubchem_cid: 106052
smiles: O=C(NC1=CC=C2C(=O)C(C(=O)C2=C1)C3=NC=4C=CC=CC4C=C3O)C
inchi:
InChI=1/C20H14N2O4/c1-10(23)21-12-6-7-13-14(9-12)20(26)17(19(13)25)18-16(24)8-11-4-2-3-5-15(11)22-18/h2-9,17,24H,1H3,(H,21,23)


cas: 67905-55-9
formula: C22H19N3O5S.Na
inchikey: QNLPSVXPKMRZDR-UHFFFAOYSA-M
norman_susdat_id: NS00088005
smiles: [Na+].CNCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H19N3O5S.Na/c1-24-11-12-6-8-13(9-7-12)25-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27;/h2-10,24-25H,11,23H2,1H3,(H,28,29,30);/q;+1/p-1


name: BASIC BLUE 47
cas: 67905-56-0
chemspiderid: 74863
formula: C23H21N3O2
inchikey: IVFRHOQHKQWEHJ-UHFFFAOYSA-N
norman_susdat_id: NS00013378
pubchem_cid: 82972
smiles: [H+].[Cl-].CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1
inchi:
InChI=1S/C23H21N3O2.ClH/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;/h3-12,25H,13,24H2,1-2H3;1H


cas: 67905-57-1
dtxsid: DTXSID5070814
formula: C22H19N3O8S2
inchikey: JUMQRWRPQINKPI-UHFFFAOYSA-L
norman_susdat_id: NS00055686
pubchem_cid: 106056
smiles: [Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C=C4S(=O)(=O)[O-])CNC)=C13)S(=O)(=O)[O-]
name:
Disodium 1-amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulphonatophenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H19N3O8S2.2Na/c1-24-10-11-6-7-14(16(8-11)34(28,29)30)25-15-9-17(35(31,32)33)20(23)19-18(15)21(26)12-4-2-3-5-13(12)22(19)27;;/h2-9,24-25H,10,23H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: [2-[ethyl(3-methylphenyl)amino]ethyl]trimethylammonium hydrogen sulphate
cas: 67905-59-3
dtxsid: DTXSID50890953
formula: C14H25N2
inchikey: BDIPJSPAMLNESS-UHFFFAOYSA-L
norman_susdat_id: NS00057035
pubchem_cid: 106059
smiles: O=S(=O)([O-])[O-].C=1C=C(C=C(C1)C)N(CC)CC[N+](C)(C)C
inchi:
InChI=1/C14H25N2.H2O4S/c1-6-15(10-11-16(3,4)5)14-9-7-8-13(2)12-14;1-5(2,3)4/h7-9,12H,6,10-11H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2


cas: 67905-60-6
dtxsid: DTXSID0070815
formula: C23H21N3O5S
inchikey: MMSZKPPPRBFAGX-UHFFFAOYSA-M
norman_susdat_id: NS00055687
pubchem_cid: 106061
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4)CN(C)C
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[(dimethylamino)methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H21N3O5S.Na/c1-26(2)12-13-7-9-14(10-8-13)25-17-11-18(32(29,30)31)21(24)20-19(17)22(27)15-5-3-4-6-16(15)23(20)28;/h3-11,25H,12,24H2,1-2H3,(H,29,30,31);/q;+1/p-1


name: 9,10-Anthracenedione, 1,8-dihydroxy-2,4,5-trinitro-
cas: 67905-61-7
chemspiderid: 4588623
dtxsid: DTXSID5070816
formula: C14H5N3O10
inchikey: ZBTXWMXJWUFKMS-UHFFFAOYSA-N
norman_susdat_id: NS00036275
pubchem_cid: 5484961
smiles: Oc1c2C(=O)c3c(C(=O)c2c(cc1)[N+](=O)[O-])c(cc(c3O)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C14H5N3O10/c18-7-2-1-4(15(22)23)8-10(7)14(21)11-9(13(8)20)5(16(24)25)3-6(12(11)19)17(26)27/h1-3,18-19H


name: Methyl [4-[(4-amino-2-methylphenyl)azo]phenyl]carbamate
cas: 67905-62-8
chemspiderid: 95554
dtxsid: DTXSID0070817
formula: C15H16N4O2
inchikey: QMMLWXUTSYZDSL-UHFFFAOYSA-N
norman_susdat_id: NS00036276
pubchem_cid: 106064
smiles: COC(=O)Nc1ccc(cc1)N=Nc1ccc(N)cc1C
inchi:
InChI=1S/C15H16N4O2/c1-10-9-11(16)3-8-14(10)19-18-13-6-4-12(5-7-13)17-15(20)21-2/h3-9H,16H2,1-2H3,(H,17,20)/b19-18+


name: 3-[butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile
cas: 67905-67-3
dtxsid: DTXSID60867393
formula: C20H21N6O2S
inchikey: BDHHMEVHKNSMLP-UHFFFAOYSA-N
norman_susdat_id: NS00055688
pubchem_cid: 106069
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)[N+](=O)[O-])C=C1)CCCC
inchi:
InChI=1/C20H20N6O2S/c1-2-3-12-25(13-4-11-21)16-7-5-15(6-8-16)23-24-20-22-18-10-9-17(26(27)28)14-19(18)29-20/h5-10,14H,2-4,12-13H2,1H3


cas: 67906-06-3
formula: C33H52O2
norman_susdat_id: NS00101859
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[methylenebis[4,6-bis(1,1-dimethylpropyl)-2,1-phenylene]]bis[.omega.-hydroxy-


name: 9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(5,6,7,8-tetrahydro-1-naphthalenyl)amino]-
cas: 67906-27-8
chemspiderid: 93376
dtxsid: DTXSID9070822
formula: C34H28Cl2N2O2
inchikey: MKOPRQXPAAQPSE-UHFFFAOYSA-N
norman_susdat_id: NS00036277
pubchem_cid: 106073
smiles: Clc1cc2c(cc1Cl)C(=O)c1c(C2=O)c(Nc2c3CCCCc3ccc2)ccc1Nc1c2CCCCc2ccc1
inchi:
InChI=1S/C34H28Cl2N2O2/c35-25-17-23-24(18-26(25)36)34(40)32-30(38-28-14-6-10-20-8-2-4-12-22(20)28)16-15-29(31(32)33(23)39)37-27-13-5-9-19-7-1-3-11-21(19)27/h5-6,9-10,13-18,37-38H,1-4,7-8,11-12H2


cas: 67906-28-9
chemspiderid: 4588624
dtxsid: DTXSID4070823
formula: C26H19Cl1N2O4
inchikey: PNTKMGYQLRLHDL-UHFFFAOYSA-N
norman_susdat_id: NS00036278
pubchem_cid: 5484964
smiles: CCOC(=O)c1c2c3ccccc3c(=O)c3c(Nc4ccc(Cl)cc4)cc(C)c([nH]c1=O)c23
name:
3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester

inchi:
InChI=1S/C26H19ClN2O4/c1-3-33-26(32)22-19-16-6-4-5-7-17(16)24(30)20-18(28-15-10-8-14(27)9-11-15)12-13(2)23(21(19)20)29-25(22)31/h4-12,28H,3H2,1-2H3,(H,29,31)


name: Sodium 1-(2-ethoxyethyl) 10-hydroxy-9-sulphonatooctadecanoate
cas: 67906-29-0
dtxsid: DTXSID30987279
formula: C22H44O7S
inchikey: KQFOKJDSOXEOEJ-UHFFFAOYSA-M
norman_susdat_id: NS00056279
pubchem_cid: 106961
smiles: [Na+].O=C(OCCOCC)CCCCCCCC(C(O)CCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H44O7S.Na/c1-3-5-6-7-9-12-15-20(23)21(30(25,26)27)16-13-10-8-11-14-17-22(24)29-19-18-28-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1


name: 2H-1-Benzopyran-2-one, 7-[(2-amino-1-naphthalenyl)azo]-3-phenyl-
cas: 67906-30-3
chemspiderid: 95563
dtxsid: DTXSID7028352
formula: C25H17N3O2
inchikey: WHDOBXLBYBWVMQ-BYYHNAKLSA-N
norman_susdat_id: NS00022660
pubchem_cid: NA
smiles: Nc1c(N=Nc2cc3c(cc2)cc(c(=O)o3)c2ccccc2)c2c(cccc2)cc1
inchi:
InChI=1S/C25H17N3O2/c26-22-13-11-17-8-4-5-9-20(17)24(22)28-27-19-12-10-18-14-21(16-6-2-1-3-7-16)25(29)30-23(18)15-19/h1-15H,26H2/b28-27+


cas: 67906-31-4
dtxsid: DTXSID80867395
formula: C22H20N6O8
inchikey: YJBASQBXNDYREF-UHFFFAOYSA-N
norman_susdat_id: NS00056280
pubchem_cid: 106076
smiles: O=C1N=C(NC(=O)N1)C(N=NC2=CC(=CC=C2C(=O)OC)C(=O)OC)C(=O)NC=3C=CC=CC3OC
name:
Dimethyl 2-[[2-[(2-methoxyphenyl)amino]-2-oxo-1-(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)ethyl]azo]terephthalate

inchi:
InChI=1/C22H20N6O8/c1-34-15-7-5-4-6-13(15)23-18(29)16(17-24-21(32)26-22(33)25-17)28-27-14-10-11(19(30)35-2)8-9-12(14)20(31)36-3/h4-10,16H,1-3H3,(H,23,29)(H2,24,25,26,32,33)


name: 5-anilino-2-[(p-tolyl)amino]terephthalic acid
cas: 67906-32-5
dtxsid: DTXSID20887032
formula: C21H18N2O4
inchikey: SVKUUKYLRANQTP-UHFFFAOYSA-N
norman_susdat_id: NS00056281
pubchem_cid: 106077
smiles: O=C(O)C=1C=C(NC2=CC=C(C=C2)C)C(=CC1NC=3C=CC=CC3)C(=O)O
inchi:
InChI=1/C21H18N2O4/c1-13-7-9-15(10-8-13)23-19-12-16(20(24)25)18(11-17(19)21(26)27)22-14-5-3-2-4-6-14/h2-12,22-23H,1H3,(H,24,25)(H,26,27)


name: 1,4-bis[(2,6-dimethylphenyl)amino]-6,7-dichloroanthraquinone
cas: 67906-36-9
dtxsid: DTXSID40887034
formula: C30H24Cl2N2O2
inchikey: PCNWENIIFRCYSX-UHFFFAOYSA-N
norman_susdat_id: NS00055750
pubchem_cid: 106082
smiles: O=C1C2=CC(Cl)=C(Cl)C=C2C(=O)C=3C(=CC=C(NC=4C(=CC=CC4C)C)C13)NC=5C(=CC=CC5C)C
inchi:
InChI=1/C30H24Cl2N2O2/c1-15-7-5-8-16(2)27(15)33-23-11-12-24(34-28-17(3)9-6-10-18(28)4)26-25(23)29(35)19-13-21(31)22(32)14-20(19)30(26)36/h5-14,33-34H,1-4H3


name: 4-[Methyl[(pentadecafluoroheptyl)sulfonyl]amino]butyl methacrylate
cas: 67906-38-1
chemspiderid: 95569
dtxsid: DTXSID9070826
formula: C16H16F15N1O4S1
inchikey: CRGIYPZDEQHQFH-UHFFFAOYSA-N
norman_susdat_id: NS00011302
pubchem_cid: 106084
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)C
inchi:
InChI=1S/C16H16F15NO4S/c1-8(2)9(33)36-7-5-4-6-32(3)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/h1,4-7H2,2-3H3


name: 4-[Methyl[(nonafluorobutyl)sulfonyl]amino]butyl methacrylate
cas: 67906-39-2
chemspiderid: 95570
dtxsid: DTXSID4070827
formula: C13H16F9N1O4S1
inchikey: GJCCTHAVFKJHMN-UHFFFAOYSA-N
norman_susdat_id: NS00011301
pubchem_cid: 106085
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C(=C)C
inchi:
InChI=1S/C13H16F9NO4S/c1-8(2)9(24)27-7-5-4-6-23(3)28(25,26)13(21,22)11(16,17)10(14,15)12(18,19)20/h1,4-7H2,2-3H3


name: 4-[Methyl[(undecafluoropentyl)sulfonyl]amino]butyl methacrylate
cas: 67906-40-5
chemspiderid: 95571
dtxsid: DTXSID9070828
formula: C14H16F11N1O4S1
inchikey: OSMPUFUJALYWAR-UHFFFAOYSA-N
norman_susdat_id: NS00011230
pubchem_cid: 106086
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)C
inchi:
InChI=1S/C14H16F11NO4S/c1-8(2)9(27)30-7-5-4-6-26(3)31(28,29)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h1,4-7H2,2-3H3


name: N-Ethyl-N-2-propenylperfluoroheptanesulfonamide
cas: 67906-41-6
chemspiderid: 95572
dtxsid: DTXSID4070829
formula: C12H10F15N1O2S1
inchikey: ZVXUTAWOTSBUQR-UHFFFAOYSA-N
norman_susdat_id: NS00011252
pubchem_cid: 106087
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)CC=C)C
inchi:
InChI=1S/C12H10F15NO2S/c1-3-5-28(4-2)31(29,30)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h3H,1,4-5H2,2H3


name: Perfluorodecane sulfonic acid
cas: 67906-42-7
chemspiderid: 95573
dtxsid: DTXSID3040148
formula: C10H1F21O3S1
inchikey: HYWZIAVPBSTISZ-UHFFFAOYSA-N
norman_susdat_id: NS00011418
pubchem_cid: 67636
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)C(F)(F)F.[NH4+]
inchi:
InChI=1S/C10HF21O3S.H3N/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34;/h(H,32,33,34);1H3


cas: 67906-43-8
dtxsid: DTXSID00887035
formula: C27H19N6O10S3
inchikey: RNFMBNGASKRRRL-UHFFFAOYSA-N
norman_susdat_id: NS00056282
pubchem_cid: 21118093
name:
2-methoxy-6-sulpho-4-[[7-sulpho-4-[(3-sulphophenyl)azo]-1-naphthyl]azo]naphthalene-1-diazonium chloride

inchi:
InChI=1/C27H18N6O10S3.ClH/c1-43-26-14-25(22-13-18(46(40,41)42)6-8-20(22)27(26)29-28)33-32-24-10-9-23(19-7-5-17(12-21(19)24)45(37,38)39)31-30-15-3-2-4-16(11-15)44(34,35)36;/h2-14H,1H3,(H2-,34,35,36,37,38,39,40,41,42);1H

smiles:
[Cl-].N#[N+]C=1C(OC)=CC(N=NC2=CC=C(N=NC3=CC=CC(=C3)S(=O)(=O)O)C=4C=CC(=CC24)S(=O)(=O)O)=C5C=C(C=CC15)S(=O)(=O)O


cas: 67906-44-9
dtxsid: DTXSID10889883
formula: C38H32N6O18S4
inchikey: OCTJJSJKXMJFIF-UHFFFAOYSA-J
norman_susdat_id: NS00056283
pubchem_cid: NA
name:
Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(acetylamino)-4-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C38H32N6O18S4.4Na/c1-17(45)39-27-15-23(63(49,50)51)9-21-13-31(65(55,56)57)35(37(47)33(21)27)43-41-25-7-5-19(11-29(25)61-3)20-6-8-26(30(12-20)62-4)42-44-36-32(66(58,59)60)14-22-10-24(64(52,53)54)16-28(40-18(2)46)34(22)38(36)48;;;;/h5-16,47-48H,1-4H3,(H,39,45)(H,40,46)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC(=CC3OC)C4=CC=C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])C(OC)=C4)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 67906-45-0
dtxsid: DTXSID70889884
formula: C38H27N7O11S3
inchikey: PIEYBJQVSACKLK-UHFFFAOYSA-K
norman_susdat_id: NS00055751
pubchem_cid: NA
name:
Trisodium 5-[[4-[(4-acetamidophenyl)azo]-7-sulphonatonaphthyl]azo]-8-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-33-13-15-35(31-19-26(58(51,52)53)8-11-29(31)33)43-42-34-14-16-36(32-20-27(59(54,55)56)9-12-30(32)34)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=C(O)C=CC5=CC(=CC=C54)S(=O)(=O)[O-])C=6C=C(C=CC36)S(=O)(=O)[O-])C=7C=C(C=CC27)S(=O)(=O)[O-])C=C1)C


cas: 67906-46-1
dtxsid: DTXSID30889885
formula: C38H27N7O11S3
inchikey: MQLWVOGSZJBJAU-UHFFFAOYSA-K
norman_susdat_id: NS00056284
pubchem_cid: NA
name:
Trisodium 8-[[4-[(4-acetamidophenyl)azo]-7-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-33-13-15-35(31-19-26(58(51,52)53)8-11-29(31)33)42-43-36-16-14-34(30-12-9-27(20-32(30)36)59(54,55)56)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=C(O)C=CC5=CC(=CC=C54)S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])C=7C=C(C=CC27)S(=O)(=O)[O-])C=C1)C


cas: 67906-47-2
dtxsid: DTXSID90889886
formula: C38H27N7O11S3
inchikey: CKFCGVDZRCTWEF-UHFFFAOYSA-K
norman_susdat_id: NS00057071
pubchem_cid: NA
name:
Trisodium 5-[[4-[(4-acetamidophenyl)azo]-6-sulphonatonaphthyl]azo]-8-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-35-15-13-33(29-11-8-26(19-31(29)35)58(51,52)53)42-43-34-14-16-36(32-20-27(59(54,55)56)9-12-30(32)34)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=C(O)C=CC5=CC(=CC=C54)S(=O)(=O)[O-])C=6C=C(C=CC36)S(=O)(=O)[O-])C=7C=CC(=CC27)S(=O)(=O)[O-])C=C1)C


cas: 67906-48-3
dtxsid: DTXSID50889887
formula: C38H27N7O11S3
inchikey: FELDPJRAMKFJEH-UHFFFAOYSA-K
norman_susdat_id: NS00057072
pubchem_cid: NA
name:
Trisodium 8-[[4-[(4-acetamidophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C38H27N7O11S3.3Na/c1-21(46)39-23-3-5-24(6-4-23)40-41-35-15-13-33(29-11-8-26(19-31(29)35)58(51,52)53)42-43-36-16-14-34(30-12-9-27(20-32(30)36)59(54,55)56)44-45-38-28-10-7-25(57(48,49)50)18-22(28)2-17-37(38)47;;;/h2-20,47H,1H3,(H,39,46)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(N=NC4=C(O)C=CC5=CC(=CC=C54)S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])C=7C=CC(=CC27)S(=O)(=O)[O-])C=C1)C


name: Disodium 5-[(4-acetamidophenyl)azo]-8-[(4-amino-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate
cas: 67906-49-4
dtxsid: DTXSID10889888
formula: C28H22N6O7S2
inchikey: ZLMUIBIOFUPMMK-UHFFFAOYSA-L
norman_susdat_id: NS00056210
pubchem_cid: 106100
inchi:
InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-27-12-13-28(24-15-20(43(39,40)41)7-9-22(24)27)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26;;/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=C(C=CC34)S(=O)(=O)[O-])C=5C=C(C=CC25)S(=O)(=O)[O-])C=C1)C


name: Disodium 5-[(4-acetamidophenyl)azo]-8-[(4-amino-7-sulphonatonaphthyl)azo]naphthalene-2-sulphonate
cas: 67906-50-7
dtxsid: DTXSID70889889
formula: C28H22N6O7S2
inchikey: HIUVZIHAVBCZMK-UHFFFAOYSA-L
norman_susdat_id: NS00057073
pubchem_cid: 106102
inchi:
InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-26-12-13-28(24-15-20(43(39,40)41)7-9-22(24)26)34-33-27-11-10-25(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=C(C=CC25)S(=O)(=O)[O-])C=C1)C


name: Disodium 8-[(4-acetamidophenyl)azo]-5-[(4-amino-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate
cas: 67906-51-8
dtxsid: DTXSID80889890
formula: C28H22N6O7S2
inchikey: UGMFAJDJOJGUHE-UHFFFAOYSA-L
norman_susdat_id: NS00057074
pubchem_cid: 106104
inchi:
InChI=1/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-27(22-9-7-20(15-24(22)28)43(39,40)41)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26;;/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=C(C=CC34)S(=O)(=O)[O-])C=5C=CC(=CC25)S(=O)(=O)[O-])C=C1)C


name: Sodium 5-[(4-hydroxyphenyl)azo]-8-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate
cas: 67906-52-9
dtxsid: DTXSID60887036
formula: C23H18N4O5S
inchikey: SVRWKURPXSKISF-UHFFFAOYSA-M
norman_susdat_id: NS00055752
pubchem_cid: 106106
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(O)C=C3)=CC=C(N=NC=4C=CC=CC4OC)C2C1
inchi:
InChI=1/C23H18N4O5S.Na/c1-32-23-5-3-2-4-22(23)27-26-21-13-12-20(25-24-15-6-8-16(28)9-7-15)18-11-10-17(14-19(18)21)33(29,30)31;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1


name: Benzenesulfonic acid, 4-[[4-(chloroazo)-5-methoxy-2-methylphenyl]azo]-
cas: 67906-54-1
chemspiderid: 95584
dtxsid: DTXSID3070832
formula: C14H13Cl1N4O4S1
inchikey: AZPGMBMWDRHSAG-UHFFFAOYSA-N
norman_susdat_id: NS00036279
pubchem_cid: 106109
smiles: COc1cc(N=Nc2ccc(cc2)S(=O)(=O)O)c(C)cc1N=NCl
inchi:
InChI=1S/C14H13ClN4O4S/c1-9-7-13(18-19-15)14(23-2)8-12(9)17-16-10-3-5-11(6-4-10)24(20,21)22/h3-8H,1-2H3,(H,20,21,22)/b17-16-,19-18-


name: Disodium 3-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,5-disulphonate
cas: 67906-55-2
dtxsid: DTXSID40889891
formula: C17H15N3O7S2
inchikey: ABTAPMOIPJSVIW-UHFFFAOYSA-L
norman_susdat_id: NS00055753
pubchem_cid: 106110
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC3=CC=C(N)C(OC)=C3)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C17H15N3O7S2.2Na/c1-27-15-8-10(5-6-14(15)18)19-20-11-7-13-12(17(9-11)29(24,25)26)3-2-4-16(13)28(21,22)23;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Calcium 4-[(2,5-dichloro-3-methyl-6-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 67906-56-3
dtxsid: DTXSID8070833
formula: C18H12Cl2N2O6S
inchikey: BDNKKOIWQYFMLV-UHFFFAOYSA-L
norman_susdat_id: NS00056285
pubchem_cid: 106113
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=C(Cl)C(=CC(Cl)=C3S(=O)(=O)[O-])C)=C1O
inchi:
InChI=1/C18H12Cl2N2O6S.Ca/c1-8-6-12(19)17(29(26,27)28)15(13(8)20)22-21-14-10-5-3-2-4-9(10)7-11(16(14)23)18(24)25;/h2-7,23H,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2


name: Calcium 4-[(2,4-dichloro-3-methyl-6-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 67906-57-4
dtxsid: DTXSID3070834
formula: C18H12Cl2N2O6S
inchikey: QCJHTJXZHWCULG-UHFFFAOYSA-L
norman_susdat_id: NS00056211
pubchem_cid: 106115
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=C(Cl)C(=C(Cl)C=C3S(=O)(=O)[O-])C)=C1O
inchi:
InChI=1/C18H12Cl2N2O6S.Ca/c1-8-12(19)7-13(29(26,27)28)16(14(8)20)22-21-15-10-5-3-2-4-9(10)6-11(17(15)23)18(24)25;/h2-7,23H,1H3,(H,24,25)(H,26,27,28);/q;+2/p-2


cas: 67906-58-5
chemspiderid: 17287955
dtxsid: DTXSID8070835
formula: C70H36N4O10
inchikey: ZPFJIHDDNVNEOW-UHFFFAOYSA-N
norman_susdat_id: NS00036280
pubchem_cid: 16131245
name:
9,10-Anthracenedione, 1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-

inchi:
InChI=1S/C70H36N4O10/c75-61-33-13-1-3-15-35(33)63(77)53-41(61)21-9-25-45(53)71-49-29-31-51(59-57(49)65(79)37-17-5-7-19-39(37)67(59)81)73-47-27-11-23-43-55(47)69(83)44-24-12-28-48(56(44)70(43)84)74-52-32-30-50(58-60(52)68(82)40-20-8-6-18-38(40)66(58)80)72-46-26-10-22-42-54(46)64(78)36-16-4-2-14-34(36)62(42)76/h1-32,71-74H

smiles:
O=C1c2cccc(Nc3c4C(=O)c5c(cccc5)C(=O)c4c(Nc4cccc5c4C(=O)c4cccc(Nc6c7C(=O)c8c(cccc8)C(=O)c7c(Nc7c8C(=O)c9c(cccc9)C(=O)c8ccc7)cc6)c4C5=O)cc3)c2C(=O)c2c1cccc2


name: Ethanol, 2-[4-[(4-amino-5-methoxy-2-methylphenyl)azo]phenoxy]-
cas: 67906-59-6
chemspiderid: 95587
dtxsid: DTXSID3070836
formula: C16H19N3O3
inchikey: DUTCAVFIKKTLQP-UHFFFAOYSA-N
norman_susdat_id: NS00036281
pubchem_cid: 106116
smiles: COc1c(N)cc(C)c(c1)N=Nc1ccc(OCCO)cc1
inchi:
InChI=1S/C16H19N3O3/c1-11-9-14(17)16(21-2)10-15(11)19-18-12-3-5-13(6-4-12)22-8-7-20/h3-6,9-10,20H,7-8,17H2,1-2H3/b19-18+


name: Propanenitrile, 3-[ethyl[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
cas: 67906-60-9
chemspiderid: 95588
dtxsid: DTXSID8070837
formula: C19H21N5O4S1
inchikey: DSWGJDDMNDOKIV-UHFFFAOYSA-N
norman_susdat_id: NS00036282
pubchem_cid: 106117
smiles: CCN(CCC#N)c1cc(C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)C
inchi:
InChI=1S/C19H21N5O4S/c1-4-23(11-5-10-20)15-6-8-17(14(2)12-15)21-22-18-9-7-16(24(25)26)13-19(18)29(3,27)28/h6-9,12-13H,4-5,11H2,1-3H3


name: 7-amino-4-hydroxy-8-[(3-sulphophenyl)azo]naphthalene-2-sulphonic acid
cas: 67906-61-0
dtxsid: DTXSID3070838
formula: C16H13N3O7S2
inchikey: LZFJOVCOABZZFH-UHFFFAOYSA-N
norman_susdat_id: NS00055754
pubchem_cid: 106118
smiles: O=S(=O)(O)C=1C=CC=C(N=NC2=C(N)C=CC3=C(O)C=C(C=C23)S(=O)(=O)O)C1
inchi:
InChI=1/C16H13N3O7S2/c17-14-5-4-12-13(7-11(8-15(12)20)28(24,25)26)16(14)19-18-9-2-1-3-10(6-9)27(21,22)23/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)


name: 2-Propenoic acid, 2-methyl-, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester
cas: 67906-70-1
chemspiderid: 95589
dtxsid: DTXSID8070839
formula: C14H14F13N1O4S1
inchikey: HCLVYCJMWIGREO-UHFFFAOYSA-N
norman_susdat_id: NS00011232
pubchem_cid: 106119
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)CCOC(=O)C(=C)C)C
inchi:
InChI=1S/C14H14F13NO4S/c1-4-28(5-6-32-8(29)7(2)3)33(30,31)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h2,4-6H2,1,3H3


cas: 67906-71-2
dtxsid: DTXSID90880570
norman_susdat_id: NS00111962
name:
2-Propenoic acid, 2-methyl-, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester, polymer with octadecyl 2-propenoate and 2-propenoic acid


name: 2-Propenoic acid, 2-methyl-, 2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethyl ester
cas: 67906-73-4
chemspiderid: 95590
dtxsid: DTXSID7070840
formula: C13H14F11N1O4S1
inchikey: WGAZHHCZKIWWFF-UHFFFAOYSA-N
norman_susdat_id: NS00011229
pubchem_cid: 106120
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)C
inchi:
InChI=1S/C13H14F11NO4S/c1-4-25(5-6-29-8(26)7(2)3)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h2,4-6H2,1,3H3


cas: 67906-74-5
dtxsid: DTXSID50880571
norman_susdat_id: NS00110596
name:
2-Propenoic acid, 2-methyl-, 2-[ethyl[(undecafluoropentyl)sulfonyl]amino]ethyl ester, polymer with octadecyl 2-propenoate and 2-propenoic acid


name: Ethyltri(octadecyl)ammonium ethyl sulphate
cas: 67907-06-6
dtxsid: DTXSID2070841
formula: C56H116N
inchikey: MGUHJFIMPPINPG-UHFFFAOYSA-M
norman_susdat_id: NS00056300
pubchem_cid: 106121
smiles: O=S(=O)([O-])OCC.CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C56H116N.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h5-56H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Sodium 2-[[4-[[4-[[p-tolylsulphonyl]oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate
cas: 67907-13-5
dtxsid: DTXSID20887037
formula: C25H21N4O8S2
inchikey: YHJVPXFPBGVPQF-UHFFFAOYSA-M
norman_susdat_id: NS00056212
pubchem_cid: NA
inchi:
InChI=1/C25H20N4O8S2.Na/c1-17-2-13-23(14-3-17)39(35,36)37-22-11-8-20(9-12-22)28-27-19-6-4-18(5-7-19)26-24-15-10-21(29(30)31)16-25(24)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1

smiles:
[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(OS(=O)(=O)C4=CC=C(C=C4)C)C=C3)C=C2)C(=C1)S(=O)(=O)[O-]


name: 2-Mercaptoethyl isooctyl phthalate
cas: 67907-16-8
chemspiderid: 73119
dtxsid: DTXSID2070843
formula: C18H26O4S1
inchikey: KWNLPAQLPZUUKG-UHFFFAOYSA-N
norman_susdat_id: NS00036284
pubchem_cid: 106126
smiles: CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCS
inchi:
InChI=1S/C18H26O4S/c1-14(2)8-4-3-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-13-23/h5-6,9-10,14,23H,3-4,7-8,11-13H2,1-2H3


name: Benzylbis(2-hydroxyethyl)octadecenylammonium chloride
cas: 67907-25-9
dtxsid: DTXSID00987286
formula: C29H52NO2
inchikey: GCCCAQCYLNWXJL-UHFFFAOYSA-M
norman_susdat_id: NS00056250
pubchem_cid: 53442135
smiles: [Cl-].OCC[N+](C=CCCCCCCCCCCCCCCCC)(CC=1C=CC=CC1)CCO
inchi:
InChI=1/C29H52NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h17-23,31-32H,2-16,24-28H2,1H3;1H/q+1;/p-1


name: Deacetyl Ketoconazole
cas: 67914-61-8
chemspiderid: 8656091
formula: C24H26Cl2N4O3
inchikey: LOUXSEJZCPKWAX-UHFFFAOYSA-N
norman_susdat_id: NS00005785
pubchem_cid: 10480684
smiles: Clc1ccc(c(Cl)c1)C1(Cn2ccnc2)OCC(COc2ccc(cc2)N2CCNCC2)O1
inchi:
InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2


name: cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl benzoate
cas: 67914-84-5
chemspiderid: 4957893
dtxsid: DTXSID30218131
formula: C20H17Cl2N3O4
inchikey: FIAXLIKXDPKHMU-OXQOHEQNSA-N
norman_susdat_id: NS00036287
pubchem_cid: 6455639
smiles: Clc1ccc(c(Cl)c1)[C@]1(Cn2cncn2)OC[C@@H](COC(=O)c2ccccc2)O1
inchi:
InChI=1S/C20H17Cl2N3O4/c21-15-6-7-17(18(22)8-15)20(11-25-13-23-12-24-25)28-10-16(29-20)9-27-19(26)14-4-2-1-3-5-14/h1-8,12-13,16H,9-11H2/t16-,20-/m1/s1


name: cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
cas: 67914-85-6
formula: C13H13Cl2N3O3
inchikey: NKUOWQPBYUKRIM-ZWNOBZJWSA-N
norman_susdat_id: NS00056269
pubchem_cid: 759880
smiles: ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CO)CN3N=CN=C3
inchi:
InChI=1/C13H13Cl2N3O3/c14-9-1-2-11(12(15)3-9)13(6-18-8-16-7-17-18)20-5-10(4-19)21-13/h1-3,7-8,10,19H,4-6H2


cas: 67914-86-7
dtxsid: DTXSID90987295
formula: C14H15Cl2N3O5S
inchikey: QIMASXGTWQEFGS-UHFFFAOYSA-N
norman_susdat_id: NS00056349
pubchem_cid: 3114841
smiles: O=S(=O)(OCC1OC(OC1)(C2=CC=C(Cl)C=C2Cl)CN3N=CN=C3)C
name:
cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate

inchi:
InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3


name: Terconazole
cas: 67915-31-5
chebiid: CHEBI:82980
chemspiderid: 390122
dtxsid: DTXSID2045498
formula: C26H31Cl2N5O3
inchikey: BLSQLHNBWJLIBQ-OZXSUGGESA-N
norman_susdat_id: NS00009370
pubchem_cid: 441383
smiles: CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
inchi:
InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1


name: 1-Naphthalenamine, 4-[(4-nitrophenyl)azo]-
cas: 6792-71-8
chemspiderid: 73306
dtxsid: DTXSID9064477
formula: C16H12N4O2
inchikey: YDDXIMLCWVDKRS-UHFFFAOYSA-N
norman_susdat_id: NS00036296
pubchem_cid: 81249
smiles: Nc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c2c1cccc2
inchi:
InChI=1S/C16H12N4O2/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)20(21)22/h1-10H,17H2/b19-18-


name: Methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
cas: 67920-93-8
dtxsid: DTXSID30987299
formula: C19H12N2O
inchikey: FXEGSPNZISUOST-UHFFFAOYSA-N
norman_susdat_id: NS00056271
pubchem_cid: 21125027
smiles: O=C1C2=CC=CC3=CC=C(C(C4=NC=5C=CC=CC5N14)=C32)C
inchi:
InChI=1/C19H12N2O/c1-11-9-10-12-5-4-6-13-17(12)16(11)18-20-14-7-2-3-8-15(14)21(18)19(13)22/h2-10H,1H3


cas: 67923-07-3
norman_susdat_id: NS00113547
name:
Siloxanes and Silicones, di-Me, [[[3-[(2-aminoethyl)amino]propyl]silylidyne]tris(oxy)]tris-, methoxy-terminated


cas: 67923-41-5
dtxsid: DTXSID40887039
formula: C17H11Cl2F3N4O
inchikey: XBOFPBRUOXECDR-UHFFFAOYSA-N
norman_susdat_id: NS00056350
pubchem_cid: 106136
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(Cl)C=C2C(F)(F)F)C3=CC=C(Cl)C=C3
name:
2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one

inchi:
InChI=1/C17H11Cl2F3N4O/c1-9-15(16(27)26(25-9)12-5-2-10(18)3-6-12)24-23-14-7-4-11(19)8-13(14)17(20,21)22/h2-8,15H,1H3


name: Propanenitrile, 3,3'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-
cas: 67923-43-7
chemspiderid: 95604
dtxsid: DTXSID7070846
formula: C18H14Cl2N6O2
inchikey: MUERWWKQVXXPML-UHFFFAOYSA-N
norman_susdat_id: NS00020111
pubchem_cid: 106138
smiles: [O-][N+](=O)c1cc(Cl)c(N=Nc2ccc(cc2)N(CCC#N)CCC#N)c(Cl)c1
inchi:
InChI=1S/C18H14Cl2N6O2/c19-16-11-15(26(27)28)12-17(20)18(16)24-23-13-3-5-14(6-4-13)25(9-1-7-21)10-2-8-22/h3-6,11-12H,1-2,9-10H2/b24-23+


name: 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethyl diacetate
cas: 67923-44-8
dtxsid: DTXSID10867404
formula: C20H22ClN4O6
inchikey: XYVFLLFMYZLCTA-UHFFFAOYSA-N
norman_susdat_id: NS00055810
pubchem_cid: 106139
smiles: O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C(Cl)=C1)CCOC(=O)C)C
inchi:
InChI=1/C20H21ClN4O6/c1-14(26)30-11-9-24(10-12-31-15(2)27)18-7-8-20(19(21)13-18)23-22-16-3-5-17(6-4-16)25(28)29/h3-8,13H,9-12H2,1-2H3


name: Ethanol, 2,2'-[[4-[(2,6-dibromo-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester)
cas: 67923-46-0
chemspiderid: 95607
dtxsid: DTXSID2070847
formula: C21H22Br2N4O6
inchikey: IICBEPFOXBFUSV-UHFFFAOYSA-N
norman_susdat_id: NS00036289
pubchem_cid: 106141
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
inchi:
InChI=1S/C21H22Br2N4O6/c1-13-10-16(26(6-8-32-14(2)28)7-9-33-15(3)29)4-5-20(13)24-25-21-18(22)11-17(27(30)31)12-19(21)23/h4-5,10-12H,6-9H2,1-3H3/b25-24+


name: Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl][2-(1-oxopropoxy)ethyl]amino]-
cas: 67923-47-1
chemspiderid: 95608
dtxsid: DTXSID7070848
formula: C20H21N5O4
inchikey: FNYGFJSSCAOWLI-UHFFFAOYSA-N
norman_susdat_id: NS00036290
pubchem_cid: 106142
smiles: CCC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H21N5O4/c1-2-20(26)29-15-14-24(13-3-12-21)18-8-4-16(5-9-18)22-23-17-6-10-19(11-7-17)25(27)28/h4-11H,2-3,13-15H2,1H3/b23-22-


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(2-hydroxyethyl)thio]-
cas: 67923-48-2
chemspiderid: 93393
dtxsid: DTXSID2070849
formula: C16H13N1O4S1
inchikey: XFOUJPUTCADLAU-UHFFFAOYSA-N
norman_susdat_id: NS00036291
pubchem_cid: 106143
smiles: Nc1c(SCCO)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C16H13NO4S/c17-14-11(22-6-5-18)7-10(19)12-13(14)16(21)9-4-2-1-3-8(9)15(12)20/h1-4,7,18-19H,5-6,17H2


cas: 67923-49-3
chemspiderid: 21162530
dtxsid: DTXSID1070850
formula: C22H25Br1N6O9
inchikey: BEHWLVCTBALQPJ-UHFFFAOYSA-N
norman_susdat_id: NS00036292
pubchem_cid: 106144
smiles: CCOC(=O)CCN(CCO)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl ester

inchi:
InChI=1S/C22H25BrN6O9/c1-4-38-21(32)5-6-27(7-8-30)18-11-16(24-13(2)31)17(12-20(18)37-3)25-26-22-15(23)9-14(28(33)34)10-19(22)29(35)36/h9-12,30H,4-8H2,1-3H3,(H,24,31)/b26-25+


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(4-hydroxyphenyl)thio]-
cas: 67923-50-6
chemspiderid: 95611
dtxsid: DTXSID6070851
formula: C20H13N1O4S1
inchikey: NZRGKQQMKNRNLS-UHFFFAOYSA-N
norman_susdat_id: NS00036293
pubchem_cid: 106145
smiles: Nc1c(Sc2ccc(O)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H13NO4S/c21-18-15(26-11-7-5-10(22)6-8-11)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2


name: Sodium [[2-methoxy-4-[(4-nitrophenyl)azo]phenyl]amino]methanesulphonate
cas: 67923-59-5
dtxsid: DTXSID6070853
formula: C14H15N4O6S
inchikey: AKBVBRIQHNQBFO-UHFFFAOYSA-M
norman_susdat_id: NS00057127
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(NCS(=O)(=O)[O-])C(OC)=C2)C=C1
inchi:
InChI=1/C14H14N4O6S.Na/c1-24-14-8-11(4-7-13(14)15-9-25(21,22)23)17-16-10-2-5-12(6-3-10)18(19)20;/h2-8,15H,9H2,1H3,(H,21,22,23);/q;+1/p-1


name: Sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-(phenylazo)naphthalene-2-sulphonate
cas: 67923-60-8
dtxsid: DTXSID50887045
formula: C26H25N5O5S
inchikey: CSKWNZZECZMRIJ-UHFFFAOYSA-M
norman_susdat_id: NS00055812
pubchem_cid: 106150
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(C=C3)N(CCO)CCO)=CC=C(N=NC=4C=CC=CC4)C2C1
inchi:
InChI=1/C26H25N5O5S.Na/c32-16-14-31(15-17-33)21-8-6-20(7-9-21)28-29-25-12-13-26(30-27-19-4-2-1-3-5-19)24-18-22(37(34,35)36)10-11-23(24)25;/h1-13,18,32-33H,14-17H2,(H,34,35,36);/q;+1/p-1


name: N-Ethyl--N-[2-(phosphonooxy)ethyl]perfluoroheptanesulfonamide
cas: 67923-61-9
chemspiderid: 95617
dtxsid: DTXSID1070854
formula: C11H11F15N1O6P1S1
inchikey: FANHPMCIAHYLOD-UHFFFAOYSA-N
norman_susdat_id: NS00011238
pubchem_cid: 106151
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)CCO[P](=O)(O)O)C
inchi:
InChI=1S/C11H11F15NO6PS/c1-2-27(3-4-33-34(28,29)30)35(31,32)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h2-4H2,1H3,(H2,28,29,30)


name: Dipotassium 2,2'-methylenebis[3,4,6-trichlorophenolate]
cas: 67923-62-0
formula: C13H6Cl6O2.2K
inchikey: BIRRARIYKDWFJX-UHFFFAOYSA-L
norman_susdat_id: NS00088712
smiles: [K+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl
inchi:
InChI=1/C13H6Cl6O2.2K/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2


cas: 67923-63-1
dtxsid: DTXSID00889892
formula: C36H30N6O14S3
inchikey: GIBSJSZTFKBVPK-UHFFFAOYSA-K
norman_susdat_id: NS00057128
pubchem_cid: NA
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-5-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H30N6O14S3.3Na/c1-18-12-26(28(56-3)17-29(18)57(46,47)48)40-42-33-31(59(52,53)54)16-20-14-22(9-11-24(20)35(33)44)38-36(45)37-21-8-10-23-19(13-21)15-30(58(49,50)51)32(34(23)43)41-39-25-6-4-5-7-27(25)55-2;;;/h4-17,43-44H,1-3H3,(H2,37,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=C(C(=CC6OC)S(=O)(=O)[O-])C)C5O)S(=O)(=O)[O-]


cas: 67923-64-2
dtxsid: DTXSID60889893
formula: C39H30N6O12S3
inchikey: DERGVYIYJYGKCV-UHFFFAOYSA-K
norman_susdat_id: NS00057129
pubchem_cid: 171997
name:
Trisodium 3-[(2,4-dimethylphenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(6-sulphonato-2-naphthyl)azo]-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C39H30N6O12S3.3Na/c1-20-3-12-32(21(2)13-20)43-45-36-34(60(55,56)57)19-25-16-27(8-11-31(25)38(36)47)41-39(48)40-26-7-10-30-24(15-26)18-33(59(52,53)54)35(37(30)46)44-42-28-6-4-23-17-29(58(49,50)51)9-5-22(23)14-28;;;/h3-19,46-47H,1-2H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=5C=CC=6C(C5)=CC(=C(N=NC7=CC=C(C=C7C)C)C6O)S(=O)(=O)[O-]


cas: 67923-65-3
dtxsid: DTXSID0041640
formula: C23H18Cl2N4O7S2
inchikey: BEZDDGZIPYRWAX-UHFFFAOYSA-M
norman_susdat_id: NS00057191
pubchem_cid: 163163
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C=C3)C)C=C2)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]
name:
Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-4-[[4-[(p-tolylsulphonyl)oxy]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C23H18Cl2N4O7S2.Na/c1-13-3-9-17(10-4-13)38(34,35)36-16-7-5-15(6-8-16)26-27-22-14(2)28-29(23(22)30)20-11-19(25)21(12-18(20)24)37(31,32)33;/h3-12,22H,1-2H3,(H,31,32,33);/q;+1/p-1


name: [carbonylbis[nitrilobis(methylene)]]tetrakisphosphonic acid
cas: 67923-76-6
dtxsid: DTXSID6070855
formula: C5H16N2O13P4
inchikey: QVOBKEISBGYEOZ-UHFFFAOYSA-N
norman_susdat_id: NS00057192
pubchem_cid: 106155
smiles: O=C(N(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C5H16N2O13P4/c8-5(6(1-21(9,10)11)2-22(12,13)14)7(3-23(15,16)17)4-24(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)


name: Oleic acid, compound with 2-(diethylamino)ethanol (1:1)
cas: 67923-77-7
formula: C18H34O2.C6H15NO
inchikey: VIWSULSDRVLYMN-KVVVOXFISA-N
norman_susdat_id: NS00088748
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCN(CC)CCO
inchi:
InChI=1/C18H34O2.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7(4-2)5-6-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-6H2,1-2H3


name: Sodium 2-[2-[2-(octylphenoxy)ethoxy]ethoxy]ethanesulphonate
cas: 67923-87-9
formula: C20H34O6S.Na
inchikey: HRRWKHBHFYQOKW-UHFFFAOYSA-M
norman_susdat_id: NS00088292
smiles: [Na+].CCCCCCCCc1ccccc1OCCOCCOCCS(=O)(=O)[O-]
inchi:
InChI=1/C20H34O6S.Na/c1-2-3-4-5-6-7-10-19-11-8-9-12-20(19)26-16-15-24-13-14-25-17-18-27(21,22)23;/h8-9,11-12H,2-7,10,13-18H2,1H3,(H,21,22,23);/q;+1/p-1


cas: 67923-89-1
dtxsid: DTXSID20889894
formula: C34H27N5O13S3
inchikey: JBHHMYUWMNUPAY-UHFFFAOYSA-K
norman_susdat_id: NS00055863
pubchem_cid: 163167
name:
Trilithium 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O13S3.3Li/c1-51-27-12-17(7-9-24(27)36-38-26-16-29(54(45,46)47)21-5-3-4-6-22(21)33(26)40)18-8-10-25(28(13-18)52-2)37-39-32-30(55(48,49)50)14-19-11-20(53(42,43)44)15-23(35)31(19)34(32)41;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Li+].[Li+].[Li+].O=S(=O)([O-])C=1C=C(N)C2=C(O)C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C(OC)=C4)=C(C=C2C1)S(=O)(=O)[O-]


name: Ammonium 2-[2-[2-(decyloxy)ethoxy]ethoxy]ethyl sulphate
cas: 67923-90-4
dtxsid: DTXSID1070858
formula: C16H34O7S
inchikey: ANALXOGYVHELHY-UHFFFAOYSA-N
norman_susdat_id: NS00057193
pubchem_cid: 106161
smiles: O=S(=O)([O-])OCCOCCOCCOCCCCCCCCCC.[NH4+]
inchi:
InChI=1/C16H34O7S.H3N/c1-2-3-4-5-6-7-8-9-10-20-11-12-21-13-14-22-15-16-23-24(17,18)19;/h2-16H2,1H3,(H,17,18,19);1H3


name: Methylenebis[dinonylphenol]
cas: 67923-95-9
formula: C49H84O2
inchikey: SLWIMLGZWDCSEW-UHFFFAOYSA-N
norman_susdat_id: NS00056317
pubchem_cid: 20160374
smiles: OC1=CC=C(C(=C1CCCCCCCCC)CCCCCCCCC)CC2=CC=C(O)C(=C2CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C49H84O2/c1-5-9-13-17-21-25-29-33-44-42(37-39-48(50)46(44)35-31-27-23-19-15-11-7-3)41-43-38-40-49(51)47(36-32-28-24-20-16-12-8-4)45(43)34-30-26-22-18-14-10-6-2/h37-40,50-51H,5-36,41H2,1-4H3


name: Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, methyl ester
cas: 67924-13-4
chemspiderid: 4941757
dtxsid: DTXSID5070860
formula: C23H27N1O2
inchikey: XTFDJRLNMKZPCR-IPWDHYFOSA-N
norman_susdat_id: NS00012978
pubchem_cid: NA
smiles: CCCCCCC(C=Nc1ccccc1C(=O)OC)=C/c2ccccc2
inchi:
InChI=1S/C23H27NO2/c1-3-4-5-7-14-20(17-19-12-8-6-9-13-19)18-24-22-16-11-10-15-21(22)23(25)26-2/h6,8-13,15-18H,3-5,7,14H2,1-2H3/b20-17+,24-18?


name: Benzoic acid, 2-(dodecylideneamino)-, methyl ester
cas: 67924-14-5
chemspiderid: 95627
dtxsid: DTXSID0070861
formula: C20H31N1O2
inchikey: SQTIJQJOTPMGND-FXBPSFAMSA-N
norman_susdat_id: NS00012888
pubchem_cid: NA
smiles: CCCCCCCCCCCC=Nc1ccccc1C(=O)OC
inchi:
InChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20(22)23-2/h12-13,15-17H,3-11,14H2,1-2H3


name: Hexaammonium dihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 67924-21-4
formula: C10H28N2O12P4.6H3N
inchikey: OVIJOEBIXCCXGA-UHFFFAOYSA-L
norman_susdat_id: NS00088301
inchi:
InChI=1/C10H28N2O12P4.6H3N/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/p-2

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


name: 1-Naphthyl 5-oxo-L-prolinate
cas: 67934-90-1
chemspiderid: 4957905
dtxsid: DTXSID00218148
formula: C15H13N1O3
inchikey: KBXKGZPUJFVDLQ-LBPRGKRZSA-N
norman_susdat_id: NS00036297
pubchem_cid: 6455651
smiles: O=C(Oc1c2ccccc2ccc1)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C15H13NO3/c17-14-9-8-12(16-14)15(18)19-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1


name: 2-Naphthyl 5-oxo-L-prolinate
cas: 67934-92-3
chemspiderid: 4957906
dtxsid: DTXSID60218149
formula: C15H13N1O3
inchikey: ZFLYMZADKJPSIM-ZDUSSCGKSA-N
norman_susdat_id: NS00036298
pubchem_cid: 6455652
smiles: O=C(Oc1ccc2ccccc2c1)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C15H13NO3/c17-14-8-7-13(16-14)15(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)/t13-/m0/s1


cas: 67935-96-0
dtxsid: DTXSID70218150
formula: C21H18Cl2N4O4
inchikey: NNWJPEOZCGYCLF-UHFFFAOYSA-N
norman_susdat_id: NS00054979
pubchem_cid: 6455654
smiles: Cl.O=C(O)C=1N=C(N(N1)C2=CC=C(Cl)C=C2C(=O)C=3C=CC=CC3Cl)CN4CCOCC4
name:
1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(morpholinomethyl)-1H-1,2,4-triazole-3-carboxylic acid monohydrochloride

inchi:
InChI=1/C21H18Cl2N4O4.ClH/c22-13-5-6-17(15(11-13)19(28)14-3-1-2-4-16(14)23)27-18(24-20(25-27)21(29)30)12-26-7-9-31-10-8-26;/h1-6,11H,7-10,12H2,(H,29,30);1H


cas: 67936-16-7
dtxsid: DTXSID80987325
formula: C20H24ClN3O2S
inchikey: YTUDQPCUGVTOBD-UHFFFAOYSA-N
norman_susdat_id: NS00055457
pubchem_cid: 163444
smiles: O=S(=O)(C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)CC(N(C)C)C
name:
2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N,N-dimethyl-1-methylethylamine

inchi:
InChI=1/C20H24ClN3O2S/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3


cas: 67936-18-9
dtxsid: DTXSID40987326
formula: C21H27ClN3O2S
inchikey: SVZFYRDPMOKVLE-UHFFFAOYSA-M
norman_susdat_id: NS00054980
pubchem_cid: 3017812
smiles: O=S(=O)([O-])OC.O=S(=O)(C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)C(C)(C)[N+](C)(C)C
name:
[1-[[4-[3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C21H27ClN3O2S.CH4O4S/c1-21(2,25(3,4)5)28(26,27)19-12-10-18(11-13-19)24-15-14-20(23-24)16-6-8-17(22)9-7-16;1-5-6(2,3)4/h6-13H,14-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1,3-diazido-1,1,3,3-tetrabutyldistannoxane
cas: 67936-79-2
dtxsid: DTXSID30218151
formula: C16H38N6OSn2
inchikey: KUDOPQNLAJIUOD-UHFFFAOYSA-N
norman_susdat_id: NS00054981
pubchem_cid: 16684505
smiles: [N-]=[N+]=N[Sn](O[Sn](N=[N+]=[N-])(CCCC)CCCC)(CCCC)CCCC
inchi:
InChI=1/4C4H9.2N3.O.2Sn/c4*1-3-4-2;2*1-3-2;;;/h4*1,3-4H2,2H3;;;;;/q;;;;2*-1;;2*+1/rC16H36N6OSn2/c1-5-9-13-24(21-19-17,14-10-6-2)23-25(22-20-18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3


name: Butyltris[[2-[(2-ethyl-1-oxohexyl)oxy]ethyl]thio]stannane
cas: 67939-23-5
formula: C34H66O6S3Sn
inchikey: NDXASEYUWBMJMU-UHFFFAOYSA-K
norman_susdat_id: NS00054994
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)C(CC)CCCC)(SCCOC(=O)C(CC)CCCC)CCCC)C(CC)CCCC
inchi:
InChI=1/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)10(11)12-7-8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-15-19-29(12-5)32(35)38-22-25-41-44(28-18-11-4,42-26-23-39-33(36)30(13-6)20-16-9-2)43-27-24-40-34(37)31(14-7)21-17-10-3/h29-31H,8-28H2,1-7H3


name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
cas: 67939-25-7
chemspiderid: 96260
dtxsid: DTXSID5070868
formula: C11H10N2O6S1
inchikey: WPBFQWYLRKBVCE-UHFFFAOYSA-N
norman_susdat_id: NS00036300
pubchem_cid: 106978
smiles: Cc1c(ccc(c1)S(=O)(=O)O)N1N=C(CC1=O)C(=O)O
inchi:
InChI=1S/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19)


name: 1-butyl 2,3-dioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate
cas: 67939-32-6
dtxsid: DTXSID10887046
formula: C46H88O7
inchikey: BOGZDDCCRGHCMS-UHFFFAOYSA-N
norman_susdat_id: NS00055371
pubchem_cid: 21118213
smiles: O=C(OCCCC)CC(O)(C(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H88O7/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-52-44(48)42-46(50,41-43(47)51-38-9-6-3)45(49)53-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h50H,4-42H2,1-3H3


name: 2-Propenoic acid, 2-methyl-, 2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester
cas: 67939-33-7
chemspiderid: 95634
dtxsid: DTXSID0070869
formula: C12H14F9N1O4S1
inchikey: DSOQNQBWSKFGJG-UHFFFAOYSA-N
norman_susdat_id: NS00011227
pubchem_cid: 106174
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCOC(=O)C(=C)C)C
inchi:
InChI=1S/C12H14F9NO4S/c1-4-22(5-6-26-8(23)7(2)3)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h2,4-6H2,1,3H3


cas: 67939-34-8
dtxsid: DTXSID30880574
norman_susdat_id: NS00109916
name:
2-Propenoic acid, 2-methyl-, 2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester, polymer with octadecyl 2-propenoate and 2-propenoic acid


name: 2-Propenoic acid, 2-methyl-, 2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
cas: 67939-36-0
chemspiderid: 95635
dtxsid: DTXSID9070870
formula: C15H14F15N1O4S1
inchikey: VOQYRTHXEXILMW-UHFFFAOYSA-N
norman_susdat_id: NS00011235
pubchem_cid: 106175
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)C)C
inchi:
InChI=1S/C15H14F15NO4S/c1-4-31(5-6-35-8(32)7(2)3)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/h2,4-6H2,1,3H3


cas: 67939-37-1
dtxsid: DTXSID90880575
norman_susdat_id: NS00111963
name:
2-Propenoic acid, 2-methyl-, 2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester, polymer with octadecyl 2-propenoate and 2-propenoic acid


name: N-ethyl-N-[3-(trichlorosilyl)propyl]perfluorooctanesulfonamide
cas: 67939-42-8
dtxsid: DTXSID4070871
formula: C13H11Cl3F17NO2SSi
inchikey: XTDOBWSCKYKWCE-UHFFFAOYSA-N
norman_susdat_id: NS00110235
smiles: CCN(CCC[Si](Cl)(Cl)Cl)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/C13H11Cl3F17NO2SSi/c1-2-34(4-3-5-38(14,15)16)37(35,36)13(32,33)11(27,28)9(23,24)7(19,20)6(17,18)8(21,22)10(25,26)12(29,30)31/h2-5H2,1H3


cas: 67939-43-9
formula: C34H27N5O17S5.4Na
inchikey: AWEUDCQIDNNFEO-UHFFFAOYSA-J
norman_susdat_id: NS00087841
name:
Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[8-[(phenylsulphonyl)oxy]-3,6-disulphonato-1-naphthyl]azo]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O17S5.4Na/c1-17-8-26(37-39-33-30(60(50,51)52)12-19-11-21(57(41,42)43)13-24(35)31(19)34(33)40)28(55-2)16-25(17)36-38-27-14-22(58(44,45)46)9-18-10-23(59(47,48)49)15-29(32(18)27)56-61(53,54)20-6-4-3-5-7-20;;;;/h3-16,40H,35H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O


name: 9,10-Anthracenedione, 2,3-dichloro-5,8-bis[(5,6,7,8-tetrahydro-2-naphthalenyl)amino]-
cas: 67939-47-3
chemspiderid: 95637
dtxsid: DTXSID9070872
formula: C34H28Cl2N2O2
inchikey: VOSPUXNTNRRTKD-UHFFFAOYSA-N
norman_susdat_id: NS00036303
pubchem_cid: 106177
smiles: Clc1cc2c(cc1Cl)C(=O)c1c(C2=O)c(Nc2cc3c(CCCC3)cc2)ccc1Nc1cc2c(CCCC2)cc1
inchi:
InChI=1S/C34H28Cl2N2O2/c35-27-17-25-26(18-28(27)36)34(40)32-30(38-24-12-10-20-6-2-4-8-22(20)16-24)14-13-29(31(32)33(25)39)37-23-11-9-19-5-1-3-7-21(19)15-23/h9-18,37-38H,1-8H2


cas: 67939-48-4
dtxsid: DTXSID10218154
formula: C12H19N9
inchikey: UXLHQJWEKUAWEG-UHFFFAOYSA-N
norman_susdat_id: NS00055526
pubchem_cid: NA
smiles: Cl.N=C(NC(=N)N1C2=NCCN2CC1)N3C4=NCCN4CC3
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 monohydrochloride

inchi:
InChI=1/C12H19N9.ClH/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;/h1-8H2,(H3,13,14,17);1H


name: 4-[Methyl[(tridecafluorohexyl)sulfonyl]amino]butyl methacrylate
cas: 67939-61-1
chemspiderid: 95638
dtxsid: DTXSID4070875
formula: C15H16F13N1O4S1
inchikey: KKCCHFWHAXJXIQ-UHFFFAOYSA-N
norman_susdat_id: NS00011233
pubchem_cid: 106182
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)C
inchi:
InChI=1S/C15H16F13NO4S/c1-8(2)9(30)33-7-5-4-6-29(3)34(31,32)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h1,4-7H2,2-3H3


name: Cadmium dilinoleate
cas: 67939-62-2
formula: C18H32O2.1/2Cd
inchikey: AFDDMZHIXPLPGI-GRVYQHKQSA-L
norman_susdat_id: NS00087661
smiles: [Cd+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: [4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium acetate
cas: 67939-65-5
formula: C25H30N3.C2H3O2
inchikey: WJZAWAXCKDHVBC-UHFFFAOYSA-M
norman_susdat_id: NS00088315
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CC(=O)[O-]
inchi:
InChI=1/C25H30N3.C2H4O2/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-2(3)4/h7-18H,1-6H3;1H3,(H,3,4)/q+1;/p-1


name: Tetrakis(cyclononyloxy)silane
cas: 67939-80-4
dtxsid: DTXSID4070877
formula: C36H68O4Si
inchikey: XWRXNKJMGYFOCC-UHFFFAOYSA-N
norman_susdat_id: NS00055527
pubchem_cid: 106184
smiles: O(C1CCCCCCCC1)[Si](OC2CCCCCCCC2)(OC3CCCCCCCC3)OC4CCCCCCCC4
inchi:
InChI=1/C36H68O4Si/c1-2-10-18-26-33(25-17-9-1)37-41(38-34-27-19-11-3-4-12-20-28-34,39-35-29-21-13-5-6-14-22-30-35)40-36-31-23-15-7-8-16-24-32-36/h33-36H,1-32H2


name: Tungsten hexa(cyclononanolate)
cas: 67939-83-7
dtxsid: DTXSID30890956
formula: C9H18O
inchi: InChI=1/6C9H17O.3W/c6*10-9-7-5-3-1-2-4-6-8-9;;;/h6*9H,1-8H2;;;/q6*-1;3*+2
inchikey: KJTIGVCCIQYJCL-UHFFFAOYSA-N
norman_susdat_id: NS00055036
pubchem_cid: 106187
smiles:
[W+2].[W+2].[W+2].[O-]C1CCCCCCCC1.[O-]C1CCCCCCCC1.[O-]C1CCCCCCCC1.[O-]C1CCCCCCCC1.[O-]C1CCCCCCCC1.[O-]C1CCCCCCCC1


name: Acetamide, N,N'-[(5-methyl-2-oxo-1,3-cyclohexanediylidene)bis(methylidyne-4,1-phenylene)]bis-
cas: 67939-84-8
chemspiderid: 4941760
dtxsid: DTXSID4070879
formula: C25H26N2O3
inchikey: OXSDDPZXDPLBKP-UHFFFAOYSA-N
norman_susdat_id: NS00036306
pubchem_cid: 106188
smiles: CC1C/C(=Cc2ccc(NC(=O)C)cc2)/C(=O)/C(=C/c2ccc(NC(=O)C)cc2)/C1
inchi:
InChI=1S/C25H26N2O3/c1-16-12-21(14-19-4-8-23(9-5-19)26-17(2)28)25(30)22(13-16)15-20-6-10-24(11-7-20)27-18(3)29/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)/b21-14+,22-15+


name: Decanoic acid, compound with 2,2'-(isopropylimino)diethanol (1:1)
cas: 67939-86-0
formula: C10H20O2.C7H17NO2
inchikey: ZASLDYNTECQJSD-UHFFFAOYSA-N
norman_susdat_id: NS00087920
smiles: CCCCCCCCCC(=O)O.CC(C)N(CCO)CCO
inchi:
InChI=1/C10H20O2.C7H17NO2/c1-2-3-4-5-6-7-8-9-10(11)12;1-7(2)8(3-5-9)4-6-10/h2-9H2,1H3,(H,11,12);7,9-10H,3-6H2,1-2H3


name: N,N'-[Phosphinicobis(oxy-2,1-ethanediyl)]bis[N-ethyl-perfluoropentanesulfonamide]
cas: 67939-87-1
chemspiderid: 150361
dtxsid: DTXSID8070881
formula: C18H19F22N2O8P1S2
inchikey: RJFPABCSTACHQG-UHFFFAOYSA-N
norman_susdat_id: NS00011239
pubchem_cid: 172023
inchi:
InChI=1S/C18H19F22N2O8PS2/c1-3-41(52(45,46)17(37,38)13(27,28)9(19,20)11(23,24)15(31,32)33)5-7-49-51(43,44)50-8-6-42(4-2)53(47,48)18(39,40)14(29,30)10(21,22)12(25,26)16(34,35)36/h3-8H2,1-2H3,(H,43,44)

smiles:
C(CO[P](=O)(O)OCCN([S](C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC)N([S](C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC


name: N-[3-(dimethylamino)propyl]heptadecafluorooctanesulphonamide monohydrochloride
cas: 67939-88-2
formula: C13H13F17N2O2S.ClH
inchikey: XJGIKNCQWLRHAA-UHFFFAOYSA-N
norman_susdat_id: NS00087921
smiles: Cl.CN(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)C(F)(F)F
inchi:
InChI=1/C13H13F17N2O2S.ClH/c1-32(2)5-3-4-31-35(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;/h31H,3-5H2,1-2H3;1H


name: 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-[2-(phosphonooxy)ethyl]-
cas: 67939-89-3
chemspiderid: 95645
dtxsid: DTXSID8070883
formula: C8H11F9N1O6P1S1
inchikey: QYPFYWKDTABJCJ-UHFFFAOYSA-N
norman_susdat_id: NS00011236
pubchem_cid: 106192
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCO[P](=O)(O)O)C
inchi:
InChI=1S/C8H11F9NO6PS/c1-2-18(3-4-24-25(19,20)21)26(22,23)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-4H2,1H3,(H2,19,20,21)


name: N-Ethyl-N-(2-(phosphonooxy)ethyl)perfluoropentanesulfonamide
cas: 67939-90-6
chemspiderid: 95646
dtxsid: DTXSID3070884
formula: C9H11F11N1O6P1S1
inchikey: PSNGOBTXZSFMLP-UHFFFAOYSA-N
norman_susdat_id: NS00011237
pubchem_cid: 106193
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCO[P](=O)(O)O)C
inchi:
InChI=1S/C9H11F11NO6PS/c1-2-21(3-4-27-28(22,23)24)29(25,26)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-4H2,1H3,(H2,22,23,24)


name: N,N'-Phosphinicobis(oxy-2,1-ethanediyl)bis(N-ethyl-perfluoro-1-butanesulfonamide)
cas: 67939-91-7
chemspiderid: 95647
dtxsid: DTXSID8070885
formula: C16H19F18N2O8P1S2
inchikey: UNHYIZUGCWLZHI-UHFFFAOYSA-N
norman_susdat_id: NS00011353
pubchem_cid: 106194
inchi:
InChI=1S/C16H19F18N2O8PS2/c1-3-35(46(39,40)15(31,32)11(21,22)9(17,18)13(25,26)27)5-7-43-45(37,38)44-8-6-36(4-2)47(41,42)16(33,34)12(23,24)10(19,20)14(28,29)30/h3-8H2,1-2H3,(H,37,38)

smiles:
C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC)CO[P](=O)(O)OCCN([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC


name: N,N'-[Phosphinicobis(oxy-2,1-ethanediyl)]bis[N-ethyl-perfluorohexanesulfonamide]
cas: 67939-92-8
chemspiderid: 150362
dtxsid: DTXSID3070886
formula: C20H19F26N2O8P1S2
inchikey: UKMBKFIROBWXCF-UHFFFAOYSA-N
norman_susdat_id: NS00011354
pubchem_cid: 172024
inchi:
InChI=1S/C20H19F26N2O8PS2/c1-3-47(58(51,52)19(43,44)15(33,34)11(25,26)9(21,22)13(29,30)17(37,38)39)5-7-55-57(49,50)56-8-6-48(4-2)59(53,54)20(45,46)16(35,36)12(27,28)10(23,24)14(31,32)18(40,41)42/h3-8H2,1-2H3,(H,49,50)

smiles:
C(CO[P](=O)(O)OCCN([S](C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC)N([S](C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC


name: Bis(2-{ethyl[(perfluoroheptyl)sulfonyl]amino}ethyl) hydrogen phosphate
cas: 67939-93-9
chemspiderid: 143208
dtxsid: DTXSID8070887
formula: C22H19F30N2O8P1S2
inchikey: YCAARETZDBIMDL-UHFFFAOYSA-N
norman_susdat_id: NS00011355
pubchem_cid: 163171
inchi:
InChI=1S/C22H19F30N2O8PS2/c1-3-53(64(57,58)21(49,50)17(39,40)13(31,32)9(23,24)11(27,28)15(35,36)19(43,44)45)5-7-61-63(55,56)62-8-6-54(4-2)65(59,60)22(51,52)18(41,42)14(33,34)10(25,26)12(29,30)16(37,38)20(46,47)48/h3-8H2,1-2H3,(H,55,56)

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)CC)CO[P](OCCN([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)CC)(O)=O


name: N,N',N''-(Phosphoryltris(oxyethylene))tris(N-ethyl-perfluoroheptane-1-sulphonamide)
cas: 67939-94-0
chemspiderid: 143206
dtxsid: DTXSID50880576
formula: C33H27F45N3O10P1S3
inchikey: DPBVCOWHHLIHJN-UHFFFAOYSA-N
norman_susdat_id: NS00011356
pubchem_cid: 163169
inchi:
InChI=1S/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3

smiles:
C(CO[P](OCCN([S](C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC)(OCCN([S](C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC)=O)N([S](C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC


name: Trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium iodide
cas: 67939-95-1
formula: C10H16F9N2O2S.I
inchikey: MSVMTPPQSPGOSK-UHFFFAOYSA-M
norman_susdat_id: NS00087671
smiles: [I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10H16F9N2O2S.HI/c1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;/h20H,4-6H2,1-3H3;1H/q+1;/p-1


name: 2-Propenoic acid, 2-methyl-, 2-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
cas: 67939-96-2
chemspiderid: 95649
dtxsid: DTXSID3070888
formula: C14H12F15N1O4S1
inchikey: RZDRSPQHQWHCKI-UHFFFAOYSA-N
norman_susdat_id: NS00011118
pubchem_cid: 106196
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)COC(=O)C(=C)C
inchi:
InChI=1S/C14H12F15NO4S/c1-6(2)7(31)34-5-4-30(3)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h1,4-5H2,2-3H3


name: Ammonium bis[2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl] phosphate
cas: 67939-97-3
formula: C22H19F30N2O8PS2.H3N
inchikey: ULMQTDIUFJYOLD-UHFFFAOYSA-N
norman_susdat_id: NS00088324
inchi:
InChI=1/C22H19F30N2O8PS2.H3N/c1-3-53(64(57,58)21(49,50)17(39,40)13(31,32)9(23,24)11(27,28)15(35,36)19(43,44)45)5-7-61-63(55,56)62-8-6-54(4-2)65(59,60)22(51,52)18(41,42)14(33,34)10(25,26)12(29,30)16(37,38)20(46,47)48;/h3-8H2,1-2H3,(H,55,56);1H3

smiles:
[NH4+].CCN(CCOP(=O)([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)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


name: Diammonium 2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl phosphate
cas: 67939-98-4
formula: C11H11F15NO6PS.2H3N
inchikey: XWTQIOGOCXVTMA-UHFFFAOYSA-N
norman_susdat_id: NS00087922
smiles: [NH4+].[NH4+].CCN(CCOP(=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)F
inchi:
InChI=1/C11H11F15NO6PS.2H3N/c1-2-27(3-4-33-34(28,29)30)35(31,32)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;;/h2-4H2,1H3,(H2,28,29,30);2*1H3


cas: 67940-02-7
formula: C12H13F15N2O2S.ClH
inchikey: OIVDLFNGOVBNFE-UHFFFAOYSA-N
norman_susdat_id: NS00087865
smiles: Cl.CN(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
name:
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide monohydrochloride

inchi:
InChI=1/C12H13F15N2O2S.ClH/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25;/h28H,3-5H2,1-2H3;1H


name: Aflatoxin M1
cas: 6795-23-9
chebiid: CHEBI:78576
chemspiderid: 21169428
dtxsid: DTXSID40891797
formula: C17H12O7
inchikey: MJBWDEQAUQTVKK-IAGOWNOFSA-N
norman_susdat_id: NS00000082
pubchem_cid: 15558498
smiles: COc3cc4O[C@H]5OC=C/[C@@]5(O)c4c2OC(=O)C/1=C(/CCC1=O)c23
inchi:
InChI=1S/C17H12O7/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/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1


name: 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium tetrafluoroborate
cas: 67952-27-6
formula: C11H16N3O.BF4
inchikey: RCFDYEUNBQWALI-UHFFFAOYSA-N
norman_susdat_id: NS00088325
smiles: CCN(CCO)c1ccc([N+]#N)c(C)c1.F[B-](F)(F)F
inchi:
InChI=1/C11H16N3O.BF4/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;2-1(3,4)5/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1


name: Bis(2-hydroxypropyl)ammonium citrate
cas: 67952-30-1
formula: C6H15NO2.xC6H8O7
inchikey: SDGULDKGOHPMAK-UHFFFAOYSA-N
norman_susdat_id: NS00087387
smiles: CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.CC(O)C[NH2+]CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/3C6H15NO2.C6H8O7/c3*1-5(8)3-7-4-6(2)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*5-9H,3-4H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Tris(2-hydroxypropyl)ammonium citrate
cas: 67952-34-5
formula: C9H21NO3.xC6H8O7
inchikey: DSLBZXJULYBINR-UHFFFAOYSA-N
norman_susdat_id: NS00087144
inchi:
InChI=1/3C9H21NO3.C6H8O7/c3*1-7(11)4-10(5-8(2)12)6-9(3)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*7-9,11-13H,4-6H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

smiles:
CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.CC(O)C[NH+](CC(C)O)CC(C)O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]


name: Oleic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)
cas: 67952-35-6
formula: C18H34O2.C9H21NO3
inchikey: VUUJSBYSFYQULD-KVVVOXFISA-N
norman_susdat_id: NS00087911
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(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(11)4-10(5-8(2)12)6-9(3)13/h9-10H,2-8,11-17H2,1H3,(H,19,20);7-9,11-13H,4-6H2,1-3H3


name: Disodium 4,5-bis(isopropyl)naphthalene-1,8-disulphonate
cas: 67952-45-8
dtxsid: DTXSID2070899
formula: C16H20O6S2
inchikey: LRUKHWGSRDZHSK-UHFFFAOYSA-L
norman_susdat_id: NS00055529
pubchem_cid: 106209
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=2C1=C(C=CC2C(C)C)S(=O)(=O)[O-])C(C)C
inchi:
InChI=1/C16H20O6S2.2Na/c1-9(2)11-5-7-13(23(17,18)19)16-14(24(20,21)22)8-6-12(10(3)4)15(11)16;;/h5-10H,1-4H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: 1,3,5-triallyl trihydrogen benzenehexacarboxylate
cas: 67952-51-6
dtxsid: DTXSID60987348
formula: C21H18O12
inchikey: GOTWQVHNTVYUFR-UHFFFAOYSA-N
norman_susdat_id: NS00054184
pubchem_cid: 106213
smiles: O=C(O)C=1C(C(=O)OCC=C)=C(C(=O)O)C(C(=O)OCC=C)=C(C(=O)O)C1C(=O)OCC=C
inchi:
InChI=1/C21H18O12/c1-4-7-31-19(28)13-10(16(22)23)14(20(29)32-8-5-2)12(18(26)27)15(11(13)17(24)25)21(30)33-9-6-3/h4-6H,1-3,7-9H2,(H,22,23)(H,24,25)(H,26,27)


name: Methyl 5',6-bis(acryloyloxy)-4',5-dihydroxy-2',3-dimethyl[1,1'-bicyclohexyl]-2-carboxylate
cas: 67952-52-7
dtxsid: DTXSID60887056
formula: C22H32O8
inchikey: GAMZTBFTHPAOHJ-UHFFFAOYSA-N
norman_susdat_id: NS00054604
pubchem_cid: 106993
smiles: O=C(OC1CC(C(C)CC1O)C2C(OC(=O)C=C)C(O)CC(C)C2C(=O)OC)C=C
inchi:
InChI=1/C22H32O8/c1-6-17(25)29-16-10-13(11(3)8-14(16)23)20-19(22(27)28-5)12(4)9-15(24)21(20)30-18(26)7-2/h6-7,11-16,19-21,23-24H,1-2,8-10H2,3-5H3


name: 1-[2-[(2-hydroxyethyl)anilino]ethyl] hydrogen 2-dodecenylsuccinate
cas: 67952-64-1
formula: C26H41NO5
inchikey: KCRQLRXFRVJYOJ-UHFFFAOYSA-M
norman_susdat_id: NS00054655
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCNC=1C=CC=CC1CCO)CC=CCCCCCCCCC
inchi:
InChI=1/C26H41NO5/c1-2-3-4-5-6-7-8-9-10-11-15-23(21-25(29)30)26(31)32-20-18-27-24-16-13-12-14-22(24)17-19-28/h10-14,16,23,27-28H,2-9,15,17-21H2,1H3,(H,29,30)/p-1


name: Benzenemethanamine, N-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]-
cas: 67952-94-7
chemspiderid: 95674
dtxsid: DTXSID4070906
formula: C18H23N1O2
inchikey: YOZOQWSDVMUIEG-UHFFFAOYSA-N
norman_susdat_id: NS00036316
pubchem_cid: 106226
smiles: CCN(Cc1c(OC)cccc1)Cc1c(OC)cccc1
inchi:
InChI=1S/C18H23NO2/c1-4-19(13-15-9-5-7-11-17(15)20-2)14-16-10-6-8-12-18(16)21-3/h5-12H,4,13-14H2,1-3H3


name: Octacosanoic acid, compound with 1,1',1''-nitrilotri(propan-2-ol) (1:1)
cas: 67952-99-2
formula: C28H56O2.C9H21NO3
inchikey: OQOLGRQQMXUQNR-UHFFFAOYSA-N
norman_susdat_id: NS00087190
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN(CC(C)O)CC(C)O
inchi:
InChI=1/C28H56O2.C9H21NO3/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;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-27H2,1H3,(H,29,30);7-9,11-13H,4-6H2,1-3H3


name: Octacosanoic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)
cas: 67953-00-8
formula: C28H56O2.C6H15NO2
inchikey: ISBNSGCDQLFIAI-UHFFFAOYSA-N
norman_susdat_id: NS00087943
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O
inchi:
InChI=1/C28H56O2.C6H15NO2/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;1-5(8)3-7-4-6(2)9/h2-27H2,1H3,(H,29,30);5-9H,3-4H2,1-2H3


name: Octacosanoic acid, compound with 1-aminopropan-2-ol (1:1)
cas: 67953-01-9
formula: C28H56O2.C3H9NO
inchikey: AEMZBPHGIZQYMI-UHFFFAOYSA-N
norman_susdat_id: NS00087427
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CC(O)CN
inchi:
InChI=1/C28H56O2.C3H9NO/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;1-3(5)2-4/h2-27H2,1H3,(H,29,30);3,5H,2,4H2,1H3


name: N-(4-nitrophenyl)-L-glutamine monohydrochloride
cas: 67953-08-6
formula: C11H13N3O5.ClH
inchikey: OJEVFSFTVARWQX-FVGYRXGTSA-N
norman_susdat_id: NS00087191
smiles: Cl.O=C(Nc1ccc(cc1)[N+]([O-])=O)CC[C@H](N)C(O)=O
inchi:
InChI=1/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H


name: Propanediamide, N,N'-bis(2,3-dichlorophenyl)-2-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)azo]-
cas: 67953-10-0
chemspiderid: 95680
dtxsid: DTXSID3070913
formula: C29H16Cl4N4O4
inchikey: HDLDXUXHDCSEFZ-UHFFFAOYSA-N
norman_susdat_id: NS00036320
pubchem_cid: 106233
smiles: Clc1c(Cl)c(NC(=O)C(N=Nc2cccc3c2C(=O)c2c(cccc2)C3=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1
inchi:
InChI=1S/C29H16Cl4N4O4/c30-17-9-4-12-20(23(17)32)34-28(40)25(29(41)35-21-13-5-10-18(31)24(21)33)37-36-19-11-3-8-16-22(19)27(39)15-7-2-1-6-14(15)26(16)38/h1-13,25H,(H,34,40)(H,35,41)/b37-36+


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]stearamide monoacetate
cas: 67953-23-5
formula: C26H57N5O.C2H4O2
inchikey: QKHILJSKSVXETI-UHFFFAOYSA-N
norman_susdat_id: NS00086229
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C26H57N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h28-30H,2-25,27H2,1H3,(H,31,32);1H3,(H,3,4)


name: Ammonium 4-butylnaphthalene-1-sulphonate
cas: 67953-30-4
dtxsid: DTXSID3070919
formula: C14H16O3S
inchikey: SHGFGWXMCXHUND-UHFFFAOYSA-N
norman_susdat_id: NS00053001
pubchem_cid: 106243
smiles: O=S(=O)([O-])C=1C=CC(=C2C=CC=CC21)CCCC.[NH4+]
inchi:
InChI=1/C14H16O3S.H3N/c1-2-3-6-11-9-10-14(18(15,16)17)13-8-5-4-7-12(11)13;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);1H3


name: 4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzenediazonium trichlorozincate
cas: 67953-75-7
dtxsid: DTXSID40886921
formula: C11H16N3O
inchikey: UHZXVKCYRSKJFZ-UHFFFAOYSA-K
norman_susdat_id: NS00053002
pubchem_cid: 21118117
smiles: N#[N+]C1=CC=C(C=C1C)N(CC)CCO.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C11H16N3O.3ClH.Zn/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;;;;/h4-5,8,15H,3,6-7H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC11H16N3O.Cl3Zn/c1-3-14(6-7-15)10-4-5-11(13-12)9(2)8-10;1-4(2)3/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1


name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-hydroxyphenyl)amino]-9,10-dioxo-
cas: 67966-88-5
chemspiderid: 95695
dtxsid: DTXSID7070923
formula: C20H14N2O6S1
inchikey: KFBGXLCLNATBFL-UHFFFAOYSA-N
norman_susdat_id: NS00036323
pubchem_cid: 106250
smiles: Nc1c(cc(Nc2ccc(O)cc2)c2c1C(=O)c1c(cccc1)C2=O)S(=O)(=O)O
inchi:
InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)


name: Diammonium dodecyl(sulphonatophenoxy)benzenesulphonate
cas: 67968-24-5
formula: C24H34O7S2.2H3N
inchikey: IGPBQHHLOZTOIJ-UHFFFAOYSA-N
norman_susdat_id: NS00086232
smiles: [NH4+].[NH4+].CCCCCCCCCCCCc1c(Oc2ccccc2S(=O)(=O)[O-])cccc1S(=O)(=O)[O-]
inchi:
InChI=1/C24H34O7S2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-15-20-21(17-14-19-23(20)32(25,26)27)31-22-16-12-13-18-24(22)33(28,29)30;;/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);2*1H3


name: N-Ethyl-N-[2-(phosphonooxy)ethyl]perfluorohexanesulfonamide
cas: 67969-65-7
chemspiderid: 95697
dtxsid: DTXSID2070924
formula: C10H11F13N1O6P1S1
inchikey: WKGHYGHEIVLMOZ-UHFFFAOYSA-N
norman_susdat_id: NS00011319
pubchem_cid: 106252
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)CCO[P](=O)(O)O)C
inchi:
InChI=1S/C10H11F13NO6PS/c1-2-24(3-4-30-31(25,26)27)32(28,29)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-4H2,1H3,(H2,25,26,27)


name: 4-[(2-ethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 67969-66-8
dtxsid: DTXSID60887076
formula: C18H18N4O2
inchikey: LOLWANDOFSMIGV-UHFFFAOYSA-N
norman_susdat_id: NS00053877
pubchem_cid: 106253
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=CC2OCC)C=3C=CC=CC3
inchi:
InChI=1/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,17H,3H2,1-2H3


name: N-ethyl-N-[2-(phosphonooxy)ethyl]perfluorooctanesulfonamide diammonium salt
cas: 67969-69-1
dtxsid: DTXSID7070925
formula: C12H17F17N3O6PS
inchikey: QANWDYJVELNYTF-UHFFFAOYSA-N
norman_susdat_id: NS00111263
inchi:
InChI=1S/C12H11F17NO6PS.2H3N/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;;/h2-4H2,1H3,(H2,31,32,33);2*1H3

smiles:
[NH4+].[NH4+].CCN(CCOP([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


name: Disodium 3-[(2,4-diaminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 67969-79-3
dtxsid: DTXSID70889900
formula: C16H14N4O7S2
inchikey: PUJGGDQPFNWFFB-UHFFFAOYSA-L
norman_susdat_id: NS00052521
pubchem_cid: 106256
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C=C(N=NC3=CC=C(N)C=C3N)C(=CC2=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H14N4O7S2.2Na/c17-9-1-2-13(12(18)5-9)19-20-14-7-11-8(4-16(14)29(25,26)27)3-10(6-15(11)21)28(22,23)24;;/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: (Z)-octadec-9-enyl dihydrogen phosphate, compound with 2-(dibutylamino)ethanol
cas: 67969-85-1
formula: C18H37O4P.xC10H23NO
inchikey: QQAUPQIMUBFZHM-KVVVOXFISA-N
norman_susdat_id: NS00086194
smiles: CCCCN(CCCC)CCO.OP(=O)(O)OCCCCCCCC/C=C\CCCCCCCC
inchi:
InChI=1/C18H37O4P.C10H23NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-5-7-11(9-10-12)8-6-4-2/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);12H,3-10H2,1-2H3


name: Decyl dihydrogen phosphate, compound with 2-(dibutylamino)ethanol
cas: 67969-86-2
formula: C10H23NO.xC10H23O4P
inchikey: WADNGFKIDYGUJC-UHFFFAOYSA-N
norman_susdat_id: NS00086195
smiles: CCCCCCCCCCOP(=O)(O)O.CCCCN(CCO)CCCC
inchi:
InChI=1/C10H23NO.C10H23O4P/c1-3-5-7-11(9-10-12)8-6-4-2;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h12H,3-10H2,1-2H3;2-10H2,1H3,(H2,11,12,13)


cas: 67969-87-3
dtxsid: DTXSID50889903
formula: C31H26N6O11S3
inchikey: FWLOBTCGBAFLDZ-UHFFFAOYSA-K
norman_susdat_id: NS00052559
pubchem_cid: NA
name:
Trisodium 7-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C31H26N6O11S3.3Na/c1-18-12-20(8-10-27(18)37-36-22-7-6-19-13-25(50(42,43)44)17-30(26(19)15-22)51(45,46)47)32-31(38)33-28-11-9-23(16-29(28)48-2)35-34-21-4-3-5-24(14-21)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[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(=C1)C)NC4=CC=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C=C4OC


cas: 67969-88-4
formula: C27H20N2O8S2.Na
inchikey: YNYQQXPCRFXFIH-UHFFFAOYSA-M
norman_susdat_id: NS00085885
smiles: [Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])cc2
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C27H20N2O8S2.Na/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);/q;+1/p-1


name: Sodium 2-amino-4-(3-chlorobenzamido)benzenesulphonate
cas: 67969-91-9
dtxsid: DTXSID1070931
formula: C13H11ClN2O4S
inchikey: SKJAAUJJRIMKDX-UHFFFAOYSA-M
norman_susdat_id: NS00053905
pubchem_cid: 106270
smiles: [Na+].O=C(NC1=CC=C(C(N)=C1)S(=O)(=O)[O-])C=2C=CC=C(Cl)C2
inchi:
InChI=1/C13H11ClN2O4S.Na/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-12(11(15)7-10)21(18,19)20;/h1-7H,15H2,(H,16,17)(H,18,19,20);/q;+1/p-1


cas: 67969-92-0
dtxsid: DTXSID10889904
formula: C32H25N7O11S3
inchikey: RVQBWJAQNZKUOU-UHFFFAOYSA-K
norman_susdat_id: NS00052560
pubchem_cid: 106272
name:
Trisodium 6-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C32H25N7O11S3.3Na/c33-18-3-1-16-11-27(52(45,46)47)29(31(40)23(16)13-18)38-36-21-7-5-20(6-8-21)35-25-10-9-22(15-26(25)51(42,43)44)37-39-30-28(53(48,49)50)12-17-2-4-19(34)14-24(17)32(30)41;;;/h1-15,35,40-41H,33-34H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N)C=C2C(O)=C1N=NC3=CC=C(C=C3)NC4=CC=C(N=NC5=C(O)C6=CC(N)=CC=C6C=C5S(=O)(=O)[O-])C=C4S(=O)(=O)[O-]


name: 5-(benzoylamino)-2-sulphobenzenediazonium chloride
cas: 67969-93-1
dtxsid: DTXSID50887080
formula: C13H10N3O4S
inchikey: UGPZACXXJGZRMA-UHFFFAOYSA-N
norman_susdat_id: NS00052561
pubchem_cid: 106273
smiles: [Cl-].N#[N+]C1=CC(=CC=C1S(=O)(=O)O)NC(=O)C=2C=CC=CC2
inchi:
InChI=1/C13H9N3O4S.ClH/c14-16-11-8-10(6-7-12(11)21(18,19)20)15-13(17)9-4-2-1-3-5-9;/h1-8H,(H-,15,17,18,19,20);1H


name: 4-[(4,8-disulpho-2-naphthyl)azo]naphthalene-1-diazonium chloride
cas: 67969-94-2
dtxsid: DTXSID10887081
formula: C20H13N4O6S2
inchikey: OYOSSMZXVWRWQR-UHFFFAOYSA-N
norman_susdat_id: NS00052562
pubchem_cid: 106275
smiles: [Cl-].N#[N+]C1=CC=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C=4C=CC=CC14
inchi:
InChI=1/C20H12N4O6S2.ClH/c21-22-17-8-9-18(14-5-2-1-4-13(14)17)24-23-12-10-16-15(20(11-12)32(28,29)30)6-3-7-19(16)31(25,26)27;/h1-11H,(H-,25,26,27,28,29,30);1H


name: Sodium 1-amino-9,10-dihydro-4-[(2-methoxy-5-methylphenyl)amino]-9,10-dioxoanthracene-2-sulphonate
cas: 67969-95-3
dtxsid: DTXSID6070932
formula: C22H18N2O6S
inchikey: JCOMKGAHOHWEAM-UHFFFAOYSA-M
norman_susdat_id: NS00053917
pubchem_cid: 21118122
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC(=CC=C4OC)C
inchi:
InChI=1/C22H18N2O6S.Na/c1-11-7-8-16(30-2)14(9-11)24-15-10-17(31(27,28)29)20(23)19-18(15)21(25)12-5-3-4-6-13(12)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: 4-[2-(4-nitro-2-sulphophenyl)vinyl]-3-sulphobenzenediazonium chloride
cas: 67969-96-4
dtxsid: DTXSID70887082
formula: C14H11N3O8S2
inchikey: GSBCGZBNWSFVAB-TYYBGVCCSA-N
norman_susdat_id: NS00052563
pubchem_cid: 6437192
smiles: [Cl-].N#[N+]C1=CC=C(C=CC2=CC=C(C=C2S(=O)(=O)O)[N+](=O)[O-])C(=C1)S(=O)(=O)O
inchi:
InChI=1/C14H9N3O8S2.ClH/c15-16-11-5-3-9(13(7-11)26(20,21)22)1-2-10-4-6-12(17(18)19)8-14(10)27(23,24)25;/h1-8H,(H-,20,21,22,23,24,25);1H


cas: 6797-90-6
dtxsid: DTXSID20889571
formula: C33H30N6O12S2
inchikey: AWJHVMYRVWFPNX-UHFFFAOYSA-L
norman_susdat_id: NS00045055
pubchem_cid: 6455689
name:
Disodium 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis(5-nitrobenzenesulphonate)

inchi:
InChI=1/C33H28N6O12S2.2Na/c1-17-12-20(4-8-24(17)36-26-10-6-22(38(42)43)14-30(26)52(46,47)48)34-28-16-29(40)32(19(3)33(28)41)35-21-5-9-25(18(2)13-21)37-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=C(NC2=CC=C(NC3=CC=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)C)C(=O)C(=C1NC4=CC=C(NC5=CC=C(C=C5S(=O)(=O)[O-])[N+](=O)[O-])C(=C4)C)C


name: Octadecanamide, N-[2-[(aminocarbonyl)(2-hydroxyethyl)amino]ethyl]-
cas: 67970-23-4
chemspiderid: 95719
dtxsid: DTXSID1070933
formula: C23H47N3O3
inchikey: DHUMLDQZOQCRKP-UHFFFAOYSA-N
norman_susdat_id: NS00036325
pubchem_cid: 106281
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N
inchi:
InChI=1S/C23H47N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)25-18-19-26(20-21-27)23(24)29/h27H,2-21H2,1H3,(H2,24,29)(H,25,28)


name: Sodium 3-(benzoxazol-2-ylthio)propanesulphonate
cas: 67970-26-7
dtxsid: DTXSID6070934
formula: C10H11NO4S2
inchikey: MRTLCNNQFFRDEN-UHFFFAOYSA-M
norman_susdat_id: NS00052941
pubchem_cid: 106283
smiles: [Na+].O=S(=O)([O-])CCCSC1=NC=2C=CC=CC2O1
inchi:
InChI=1/C10H11NO4S2.Na/c12-17(13,14)7-3-6-16-10-11-8-4-1-2-5-9(8)15-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1


name: Di-tert-butylnaphthalenesulphonic acid
cas: 67970-30-3
dtxsid: DTXSID10987373
formula: C18H24O3S
inchikey: RSOAMRXKGHCGNC-UHFFFAOYSA-N
norman_susdat_id: NS00052568
pubchem_cid: 3017817
smiles: O=S(=O)(O)C=1C=2C=CC=CC2C=C(C1C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C18H24O3S/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6/h7-11H,1-6H3,(H,19,20,21)


name: 8-[3-(m-amidinophenyl)-2-triazeno]-3-amino-5-ethyl-6-phenylphenanthridinium chloride hydrochloride
cas: 6798-24-9
formula: C28H26N7
inchikey: URSFPCGNENDEFB-UHFFFAOYSA-N
norman_susdat_id: NS00045135
pubchem_cid: 72452
smiles: [Cl-].Cl.N=C(N)C=1C=CC=C(N=NNC=2C=CC=3C=4C=CC(N)=CC4[N+](=C(C=5C=CC=CC5)C3C2)CC)C1
inchi:
InChI=1/C28H25N7.2ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H


name: Zinc abietate
cas: 6798-76-1
formula: C20H30O2.1/2Zn
inchikey: MXODCLTZTIFYDV-JHZYRPMRSA-L
norman_susdat_id: NS00080921
inchi:
InChI=1/2C20H30O2.Zn/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2

smiles:
[Zn+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4


name: Octyl decyl trimellitate
cas: 67989-23-5
chemspiderid: 17215492
dtxsid: DTXSID7028354
formula: C37H62O6
inchikey: ASEQDXKQXWEMGQ-UHFFFAOYSA-N
norman_susdat_id: NS00019622
pubchem_cid: 22833351
smiles: CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)c(c1)C(=O)OCCCCCCCC
inchi:
InChI=1S/C37H62O6/c1-4-7-10-13-16-18-21-23-28-41-35(38)32-26-27-33(36(39)42-29-25-22-19-17-14-11-8-5-2)34(31-32)37(40)43-30-24-20-15-12-9-6-3/h26-27,31H,4-25,28-30H2,1-3H3


name: 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol
cas: 67989-24-6
chemspiderid: 4941771
dtxsid: DTXSID2028355
formula: C23H44O3
inchikey: VVEKMBGQZPFARL-QXMHVHEDSA-N
norman_susdat_id: NS00019837
pubchem_cid: 6437194
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCC(C)(C)CO
inchi:
InChI=1S/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-21-23(2,3)20-24/h11-12,24H,4-10,13-21H2,1-3H3/b12-11-


cas: 67989-71-3
formula: C33H61O13P
norman_susdat_id: NS00101574
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(1,28-dihydroxy-1-oxido-2,5,8,11,14,17,20,23,26-nonaoxa-1-phosphaoctacos-1-yl)-.omega.-(nonylphenoxy)-


name: [2,2-bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]ethyl]benzene
cas: 67989-84-8
dtxsid: DTXSID30887083
formula: C28H42O2
inchikey: SWVPEZYERZIFRI-UHFFFAOYSA-N
norman_susdat_id: NS00052569
pubchem_cid: 107023
smiles: O(C(OC(C=C)(C)CCC=C(C)C)CC=1C=CC=CC1)C(C=C)(C)CCC=C(C)C
inchi:
InChI=1/C28H42O2/c1-9-27(7,20-14-16-23(3)4)29-26(22-25-18-12-11-13-19-25)30-28(8,10-2)21-15-17-24(5)6/h9-13,16-19,26H,1-2,14-15,20-22H2,3-8H3


cas: 67990-05-0
dtxsid: DTXSID0070942
formula: C32H25ClN4O5
inchikey: IBHCUBFBUGYOHF-UHFFFAOYSA-N
norman_susdat_id: NS00053100
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=C5OC)=C2
name:
2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-

inchi:
InChI=1/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)


name: 4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
cas: 67990-06-1
dtxsid: DTXSID5070943
formula: C24H17ClN4O3
inchikey: KNGRMBNMWIOJAB-UHFFFAOYSA-N
norman_susdat_id: NS00053954
pubchem_cid: 106301
smiles: O=C(N)C1=CC=C(Cl)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4)=C1
inchi:
InChI=1/C24H17ClN4O3/c25-19-11-10-15(23(26)31)13-20(19)28-29-21-17-9-5-4-6-14(17)12-18(22(21)30)24(32)27-16-7-2-1-3-8-16/h1-13,30H,(H2,26,31)(H,27,32)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-N-(2-methoxyphenyl)-
cas: 67990-07-2
chemspiderid: 7850803
dtxsid: DTXSID0070944
formula: C25H20N4O6
inchikey: FCYFCQMBEXQZBR-UHFFFAOYSA-N
norman_susdat_id: NS00036331
pubchem_cid: NA
smiles: COc1ccccc1NC(=O)C1=Cc2ccccc2/C(=N/Nc2c(OC)ccc(c2)[N+](=O)[O-])/C1=O
inchi:
InChI=1S/C25H20N4O6/c1-34-21-10-6-5-9-19(21)26-25(31)18-13-15-7-3-4-8-17(15)23(24(18)30)28-27-20-14-16(29(32)33)11-12-22(20)35-2/h3-14,27H,1-2H3,(H,26,31)/b28-23-


name: Benzenesulfonic acid, 3-amino-4-(tetradecyloxy)-
cas: 67990-09-4
chemspiderid: 94933
dtxsid: DTXSID5070945
formula: C20H35N1O4S1
inchikey: MFFSQRHEURWEHI-UHFFFAOYSA-N
norman_susdat_id: NS00036332
pubchem_cid: 106304
smiles: CCCCCCCCCCCCCCOc1c(N)cc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C20H35NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-20-15-14-18(17-19(20)21)26(22,23)24/h14-15,17H,2-13,16,21H2,1H3,(H,22,23,24)


name: Acetamide, N-[2-(tetradecyloxy)phenyl]-
cas: 67990-10-7
chemspiderid: 94936
dtxsid: DTXSID0070946
formula: C22H37N1O2
inchikey: KRMVKLLDHVNWEK-UHFFFAOYSA-N
norman_susdat_id: NS00036333
pubchem_cid: 106305
smiles: CCCCCCCCCCCCCCOc1ccccc1NC(=O)C
inchi:
InChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22-18-15-14-17-21(22)23-20(2)24/h14-15,17-18H,3-13,16,19H2,1-2H3,(H,23,24)


name: 3-ethyl-5,6-dimethyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide
cas: 67990-11-8
dtxsid: DTXSID90887089
formula: C19H21N2O
inchikey: ZQOJNJPQLBYVTD-UHFFFAOYSA-N
norman_susdat_id: NS00052621
pubchem_cid: NA
smiles: [I-].O1C=2C=C(C(=CC2[N+](=C1C=CNC=3C=CC=CC3)CC)C)C
inchi:
InChI=1/C19H20N2O.HI/c1-4-21-17-12-14(2)15(3)13-18(17)22-19(21)10-11-20-16-8-6-5-7-9-16;/h5-13H,4H2,1-3H3;1H


cas: 67990-22-1
dtxsid: DTXSID90889907
formula: C29H21N8O12S2
inchikey: HCJNKQYDGOEAGH-UHFFFAOYSA-K
norman_susdat_id: NS00053121
pubchem_cid: 46829351
name:
Trisodium 5-[[4-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulphonato-2-naphthyl]azo]phenyl]azo]salicylate

inchi:
InChI=1/C29H20N8O12S2.3Na/c30-25-24-14(11-22(50(44,45)46)26(25)35-32-17-5-8-19(9-6-17)37(42)43)12-23(51(47,48)49)27(28(24)39)36-33-16-3-1-15(2-4-16)31-34-18-7-10-21(38)20(13-18)29(40)41;;;/h1-13,38-39H,30H2,(H,40,41)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=C(O)C=4C(C=C3S(=O)(=O)[O-])=CC(=C(N=NC5=CC=C(C=C5)[N+](=O)[O-])C4N)S(=O)(=O)[O-])C=C2)=CC=C1O


cas: 67990-23-2
dtxsid: DTXSID50889908
formula: C29H22N8O10S2
inchikey: XDBJGIVOWJUBRN-UHFFFAOYSA-K
norman_susdat_id: NS00053036
pubchem_cid: NA
name:
Trisodium 5-[[4-[[8-amino-7-[(4-aminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]phenyl]azo]salicylate

inchi:
InChI=1/C29H22N8O10S2.3Na/c30-15-1-3-16(4-2-15)33-36-26-22(48(42,43)44)11-14-12-23(49(45,46)47)27(28(39)24(14)25(26)31)37-34-18-7-5-17(6-8-18)32-35-19-9-10-21(38)20(13-19)29(40)41;;;/h1-13,38-39H,30-31H2,(H,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=C(O)C=4C(C=C3S(=O)(=O)[O-])=CC(=C(N=NC5=CC=C(N)C=C5)C4N)S(=O)(=O)[O-])C=C2)=CC=C1O


cas: 67990-24-3
dtxsid: DTXSID10889909
formula: C29H23N5O7S2
inchikey: LXBHJKLUEUFFOS-UHFFFAOYSA-L
norman_susdat_id: NS00053122
pubchem_cid: 172075
name:
Disodium 4-hydroxy-3-[[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]-6-(phenylamino)naphthalene-2-sulphonate

inchi:
InChI=1/C29H23N5O7S2.2Na/c1-18-15-23(11-14-26(18)33-31-21-9-12-24(13-10-21)42(36,37)38)32-34-28-27(43(39,40)41)16-19-7-8-22(17-25(19)29(28)35)30-20-5-3-2-4-6-20;;/h2-17,30,35H,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C4=CC(=CC=C4C=C3S(=O)(=O)[O-])NC=5C=CC=CC5)C=C2C)C=C1


name: C.I.Solvent Yellow
cas: 67990-27-6
chemspiderid: 21162564
dtxsid: DTXSID5052383
formula: C44H58N4O2
inchikey: KTVOLKQQNNIGGM-UHFFFAOYSA-N
norman_susdat_id: NS00019575
pubchem_cid: NA
smiles: CCCCCCCCCC1=CC(=NNc2c(C)cc(cc2)c2cc(C)c(NN=C3C=C(CCCCCCCCC)C=CC3=O)cc2)C(=O)C=C1
inchi:
InChI=1S/C44H58N4O2/c1-5-7-9-11-13-15-17-19-35-21-27-43(49)41(31-35)47-45-39-25-23-37(29-33(39)3)38-24-26-40(34(4)30-38)46-48-42-32-36(22-28-44(42)50)20-18-16-14-12-10-8-6-2/h21-32,45-46H,5-20H2,1-4H3/b47-41-,48-42+


cas: 67990-28-7
dtxsid: DTXSID20889910
formula: C24H19N4O11S3
inchikey: BOSNCVLTKFBGPQ-GMAFQHBXSA-K
norman_susdat_id: NS00053037
pubchem_cid: 6441732
name:
Trisodium 4-amino-3-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C24H18N4O11S3.3Na/c25-24-19-4-2-1-3-18(19)23(42(37,38)39)13-20(24)27-26-16-9-7-14(21(11-16)40(31,32)33)5-6-15-8-10-17(28(29)30)12-22(15)41(34,35)36;;;/h1-13H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC=3C=C(C=4C=CC=CC4C3N)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: 1,2-dimethyl-3-(benzyl)-5-(trifluoromethyl)-1H-benzimidazolium bromide
cas: 67990-33-4
dtxsid: DTXSID30987411
formula: C17H17F3N2
inchikey: LPVDIKSAAFXYEF-UHFFFAOYSA-N
norman_susdat_id: NS00053038
pubchem_cid: 21118126
smiles: [Br-].FC(F)(F)C1=CC=C2C(=C1)N(CC=3C=CC=CC3)C(C)[NH+]2C
inchi:
InChI=1/C17H17F3N2.BrH/c1-12-21(2)15-9-8-14(17(18,19)20)10-16(15)22(12)11-13-6-4-3-5-7-13;/h3-10,12H,11H2,1-2H3;1H


name: Barium 3-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate
cas: 67990-34-5
dtxsid: DTXSID9070955
formula: C20H14N2O7S2
inchikey: RWKXUVPYWZEICG-UHFFFAOYSA-L
norman_susdat_id: NS00053039
pubchem_cid: 106330
smiles: [Ba+2].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC3=C(O)C=CC=4C=CC=CC43)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.Ba/c23-17-9-8-12-4-1-2-5-14(12)20(17)22-21-13-10-16-15(19(11-13)31(27,28)29)6-3-7-18(16)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


name: Calcium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 67990-35-6
formula: C17H13ClN2O4S.1/2Ca
inchikey: VAMWUMJBWMYDOF-UHFFFAOYSA-L
norman_susdat_id: NS00086250
inchi:
InChI=1/2C17H13ClN2O4S.Ca/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ca+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O


name: Barium 3-[(1-hydroxy-2-naphthyl)azo]naphthalene-1,5-disulphonate
cas: 67990-36-7
dtxsid: DTXSID9070957
formula: C20H14N2O7S2
inchikey: BFTAOJGBCXFTOW-UHFFFAOYSA-L
norman_susdat_id: NS00053124
pubchem_cid: 106333
smiles: [Ba+2].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC=3C=CC=4C=CC=CC4C3O)=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.Ba/c23-20-14-5-2-1-4-12(14)8-9-17(20)22-21-13-10-16-15(19(11-13)31(27,28)29)6-3-7-18(16)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


name: Calcium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate
cas: 67990-37-8
dtxsid: DTXSID4070958
formula: C20H14N2O7S2
inchikey: ROLPDLQXTOHSIJ-UHFFFAOYSA-L
norman_susdat_id: NS00053957
pubchem_cid: 105975
smiles: [Ca+2].O=S(=O)([O-])C1=CC=CC=2C1=CC=C(N=NC3=C(O)C=CC=4C=CC=CC43)C2S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.Ca/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


cas: 67992-58-9
formula: C24H21I6N5O8.Na
inchikey: MBVDCEVFLAONHO-UHFFFAOYSA-M
norman_susdat_id: NS00086298
smiles: [Na+].CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NCCO)c2I)c1I
name:
Sodium 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate

inchi:
InChI=1/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1


name: Octadecanoic acid, sulfo-, sodium salt
cas: 67998-94-1
chemspiderid: 19976352
dtxsid: DTXSID7028356
formula: C18H36O5S1
inchikey: PMCRAALPHHXOIX-UHFFFAOYSA-M
norman_susdat_id: NS00020019
pubchem_cid: 24180688
smiles: [Na+].OC(=O)CCCCCCCCCCCCCCCCCS(=O)(=O)[O-]
inchi:
InChI=1S/C18H36O5S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23/h1-17H2,(H,19,20)(H,21,22,23)


cas: 67999-57-9
formula: C19H28O7S
norman_susdat_id: NS00101677
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-carboxy-1-oxosulfopropyl]-.omega.-(nonylphenoxy)-, disodium salt


name: Vitamin B12
cas: 68-19-9
chemspiderid: 24921423
dtxsid: DTXSID7044346
formula: C62H90N13O14P1
inchikey: RHYVGCKRBKDRDX-UHFFFAOYSA-M
norman_susdat_id: NS00014328
pubchem_cid: NA
inchi:
InChI=1S/C62H90N13O14P/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86)/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+/m1/s1

smiles:
[Co+3]|[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(=C3[N-]C(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)C)O[P]([O-])(=O)O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78


name: Norethindrone
cas: 68-22-4
chebiid: CHEBI:7627
chemspiderid: 5994
dtxsid: DTXSID9023380
formula: C20H26O2
inchikey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
norman_susdat_id: NS00009098
pubchem_cid: 6230
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
inchi:
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1


name: Norethinodrel
cas: 68-23-5
chemspiderid: 4378
formula: C20H26O2
inchikey: ICTXHFFSOAJUMG-UHFFFAOYSA-N
norman_susdat_id: NS00006110
pubchem_cid: 4537
smiles: CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C
inchi:
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3


name: Retinol
cas: 68-26-8
chebiid: CHEBI:17336
chemspiderid: 393012
dtxsid: DTXSID3023556
formula: C20H30O1
inchikey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N
norman_susdat_id: NS00003017
pubchem_cid: 445354
smiles: CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C
inchi:
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+


name: Tetrahydrocorticosterone
cas: 68-42-8
chebiid: CHEBI:9481
chemspiderid: 17215927
formula: C21H34O4
inchikey: RHQQHZQUAMFINJ-DTDWNVJFSA-N
norman_susdat_id: NS00018325
pubchem_cid: 65553
smiles: CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
inchi:
InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1


name: Hydroxyzine
cas: 68-88-2
chebiid: CHEBI:5818
chemspiderid: 3531
dtxsid: DTXSID8023137
formula: C21H27Cl1N2O2
inchikey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
norman_susdat_id: NS00002988
pubchem_cid: 3658
smiles: OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2


name: Dipyrone
cas: 68-89-3
chebiid: CHEBI:59033
chemspiderid: 6000
dtxsid: DTXSID8020543
formula: C13H17N3O4S1
inchikey: DJGAAPFSPWAYTJ-UHFFFAOYSA-M
norman_susdat_id: NS00021332
pubchem_cid: 522325
smiles: [Na+].CN(CS(=O)(=O)[O-])c1c(C)n(C)n(c1=O)c1ccccc1
inchi:
InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)


name: Benziodarone
cas: 68-90-6
chebiid: CHEBI:135814
chemspiderid: 6001
dtxsid: DTXSID1046134
formula: C17H12I2O3
inchikey: CZCHIEJNWPNBDE-UHFFFAOYSA-N
norman_susdat_id: NS00036747
pubchem_cid: 6237
smiles: CCc1c(C(=O)c2cc(I)c(O)c(I)c2)c2c(o1)cccc2
inchi:
InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3


name: Trimetaphan camsilate
cas: 68-91-7
dtxsid: DTXSID3023710
formula: C22H25N2OS
inchikey: HALWUDBBYKMYPW-UHFFFAOYSA-M
norman_susdat_id: NS00041027
pubchem_cid: 441310
smiles: O=C1N(CC=2C=CC=CC2)C3C[S+]4CCCC4C3N1CC=5C=CC=CC5.O=C1CC2CCC1(CS(=O)(=O)[O-])C2(C)C
inchi:
InChI=1/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1


name: 17alpha-Hydroxyprogesterone
cas: 68-96-2
dtxsid: DTXSID6040747
formula: C21H30O3
inchikey: DBPWSSGDRRHUNT-UHFFFAOYSA-N
norman_susdat_id: NS00067028
smiles: CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3


name: Hexa(methoxymethyl)melamine
cas: 68002-20-0
chemspiderid: 56259
dtxsid: DTXSID9027520
formula: C15H30N6O6
inchikey: BNCADMBVWNPPIZ-UHFFFAOYSA-N
norman_susdat_id: NS00010296
pubchem_cid: 62479
smiles: O(CN(c1nc(nc(n1)N(COC)COC)N(COC)COC)COC)C
inchi:
InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3


cas: 68002-44-8
norman_susdat_id: NS00113594
name:
Phenol, 4,4-(1-methylethylidene)bis-, polymer with 2-(chloromethyl)oxirane, 2-methyl-2-propenoate, reaction products with formaldehyde-phenol polymer


name: Disodium tetradecenedisulphonate
cas: 68003-17-8
formula: C14H28O6S2.2Na
inchikey: YGZLTQRIFINVIP-UHFFFAOYSA-L
norman_susdat_id: NS00088157
smiles: [Na+].[Na+].CCCCCCCCCCCCC=C(S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H28O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(21(15,16)17)22(18,19)20;;/h13H,2-12H2,1H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2


name: Tetradecenedisulphonic acid
cas: 68003-18-9
dtxsid: DTXSID8070960
formula: C14H28O6S2
inchikey: UZKKYTJXENRDFX-UHFFFAOYSA-N
norman_susdat_id: NS00055497
pubchem_cid: 20838423
smiles: O=S(=O)(O)C(=CCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C14H28O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(21(15,16)17)22(18,19)20/h13H,2-12H2,1H3,(H,15,16,17)(H,18,19,20)


name: Hexadec-1-enedisulphonic acid
cas: 68003-19-0
dtxsid: DTXSID20987425
formula: C16H32O6S2
inchikey: TZQIHQAYTNPPNL-UHFFFAOYSA-N
norman_susdat_id: NS00056021
pubchem_cid: 170411
smiles: O=S(=O)(O)C(=CCCCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C16H32O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23(17,18)19)24(20,21)22/h15H,2-14H2,1H3,(H,17,18,19)(H,20,21,22)


cas: 68003-28-1
dtxsid: DTXSID8070962
formula: C24H30N6O4
inchikey: IENBGFRUACWIIB-UHFFFAOYSA-N
norman_susdat_id: NS00056022
pubchem_cid: 106343
smiles: O=C1NCCNCCNC(=O)C=2C=CC=CC2C(=O)NCCNCCNC(=O)C=3C=CC=CC13
name:
7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone

inchi:
InChI=1/C24H30N6O4/c31-21-17-5-1-2-6-18(17)22(32)28-14-10-26-12-16-30-24(34)20-8-4-3-7-19(20)23(33)29-15-11-25-9-13-27-21/h1-8,25-26H,9-16H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)


cas: 68003-31-6
dtxsid: DTXSID00889913
formula: C40H42N10O12S2
inchikey: MKLYTFDXGWSGPM-YHPRVSEPSA-L
norman_susdat_id: NS00055498
pubchem_cid: NA
name:
Disodium 4,4'-bis[[6-anilino-4-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C40H42N10O12S2.2Na/c51-17-19-59-21-23-61-39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(53,54)55)11-12-28-14-16-32(26-34(28)64(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)62-24-22-60-20-18-52;;/h1-16,25-26,51-52H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC=4C=CC=CC4)OCCOCCO)NC=5N=C(N=C(N5)NC=6C=CC=CC6)OCCOCCO


name: 2-Naphthalenesulfonic acid, 7-amino-4-[[(4-methylphenyl)sulfonyl]oxy]-
cas: 68003-33-8
chemspiderid: 90271
dtxsid: DTXSID8070964
formula: C17H15N1O6S2
inchikey: LPDSDGMZMLAGJR-UHFFFAOYSA-N
norman_susdat_id: NS00036339
pubchem_cid: 106345
smiles: Cc1ccc(cc1)S(=O)(=O)Oc1cc(cc2c1ccc(N)c2)S(=O)(=O)O
inchi:
InChI=1S/C17H15NO6S2/c1-11-2-5-14(6-3-11)26(22,23)24-17-10-15(25(19,20)21)9-12-8-13(18)4-7-16(12)17/h2-10H,18H2,1H3,(H,19,20,21)


name: 5-[[(8-hydroxy-3,6-disulpho-1-naphthyl)amino]sulphonyl]salicylic acid
cas: 68003-34-9
dtxsid: DTXSID3070965
formula: C17H13NO12S3
inchikey: SUPLBSNCTGFNKZ-UHFFFAOYSA-N
norman_susdat_id: NS00055499
pubchem_cid: 106346
smiles: O=C(O)C1=CC(=CC=C1O)S(=O)(=O)NC=2C=C(C=C3C=C(C=C(O)C32)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C17H13NO12S3/c19-14-2-1-9(5-12(14)17(21)22)31(23,24)18-13-6-10(32(25,26)27)3-8-4-11(33(28,29)30)7-15(20)16(8)13/h1-7,18-20H,(H,21,22)(H,25,26,27)(H,28,29,30)


name: 1-Naphthalenesulfonic acid, 5-hydroxy-4-(phenylamino)-
cas: 68003-37-2
chemspiderid: 82795
dtxsid: DTXSID3070967
formula: C16H13N1O4S1
inchikey: JJOWOYSYGITZPN-UHFFFAOYSA-N
norman_susdat_id: NS00036341
pubchem_cid: 106349
smiles: Oc1cccc2c(ccc(Nc3ccccc3)c12)S(=O)(=O)O
inchi:
InChI=1S/C16H13NO4S/c18-14-8-4-7-12-15(22(19,20)21)10-9-13(16(12)14)17-11-5-2-1-3-6-11/h1-10,17-18H,(H,19,20,21)


name: Benzoic acid, 2-[[(4-chloro-3-nitrophenyl)sulfonyl]amino]-
cas: 68003-38-3
chemspiderid: 95761
dtxsid: DTXSID8070968
formula: C13H9Cl1N2O6S1
inchikey: NJTHPOSQGFJTDP-UHFFFAOYSA-N
norman_susdat_id: NS00036342
pubchem_cid: 106350
smiles: OC(=O)c1c(NS(=O)(=O)c2cc(c(Cl)cc2)[N+](=O)[O-])cccc1
inchi:
InChI=1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)


name: Benzenesulfonamide, N-ethyl-2-methyl-5-nitro-N-phenyl-
cas: 68003-39-4
chemspiderid: 95762
dtxsid: DTXSID3070969
formula: C15H16N2O4S1
inchikey: BLAXIVFXXRDMRT-UHFFFAOYSA-N
norman_susdat_id: NS00036343
pubchem_cid: 106351
smiles: CCN(c1ccccc1)S(=O)(=O)c1c(C)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C15H16N2O4S/c1-3-16(13-7-5-4-6-8-13)22(20,21)15-11-14(17(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3


name: Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-
cas: 68003-42-9
chemspiderid: 95765
dtxsid: DTXSID2070972
formula: C12H15N3O4S1
inchikey: NYCFXTHZFLCNSY-UHFFFAOYSA-N
norman_susdat_id: NS00036346
pubchem_cid: 106354
smiles: CC1=NN(C(=O)C1)c1cccc(c1)S(=O)(=O)NCCO
inchi:
InChI=1S/C12H15N3O4S/c1-9-7-12(17)15(14-9)10-3-2-4-11(8-10)20(18,19)13-5-6-16/h2-4,8,13,16H,5-7H2,1H3


name: .beta.-Alanine, N-[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
cas: 68003-43-0
chemspiderid: 95766
dtxsid: DTXSID7070973
formula: C23H24N2O4
inchikey: XYEVKYLQCGMFEH-UHFFFAOYSA-N
norman_susdat_id: NS00036347
pubchem_cid: 106355
smiles: OC(=O)CCNc1ccc(NC2CCCCC2)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C23H24N2O4/c26-19(27)12-13-24-17-10-11-18(25-14-6-2-1-3-7-14)21-20(17)22(28)15-8-4-5-9-16(15)23(21)29/h4-5,8-11,14,24-25H,1-3,6-7,12-13H2,(H,26,27)


name: 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, disodium salt
cas: 68003-45-2
chemspiderid: 95767
dtxsid: DTXSID2070974
formula: C20H30O7S1
inchikey: FKUITBKKFLKVMS-UHFFFAOYSA-L
norman_susdat_id: NS00036348
pubchem_cid: 106356
smiles: [Na+].[Na+].CCCCCCCCCCCCOC(=O)c1cc(ccc1C(=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)18-15-16(28(24,25)26)12-13-17(18)19(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,24,25,26)


name: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 68003-47-4
dtxsid: DTXSID80887098
formula: C33H40N2O3
inchikey: QOCARFZBVIMWOU-UHFFFAOYSA-N
norman_susdat_id: NS00056076
pubchem_cid: 107040
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NCCCCCCCC)C)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C33H40N2O3/c1-5-8-9-10-11-14-19-34-29-22-28-30(20-23(29)4)37-31-21-24(35(6-2)7-3)17-18-27(31)33(28)26-16-13-12-15-25(26)32(36)38-33/h12-13,15-18,20-22,34H,5-11,14,19H2,1-4H3


name: 2'-amino-6'-(diethylamino)-3'-methoxyspiro[isobenzofuran-1[3H],9'-[9H]xanthene]-3-one
cas: 68003-48-5
dtxsid: DTXSID40887099
formula: C25H24N2O4
inchikey: XWYNCXPHQBNNRH-UHFFFAOYSA-N
norman_susdat_id: NS00055988
pubchem_cid: 107041
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(OC)C(N)=CC42)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C25H24N2O4/c1-4-27(5-2)15-10-11-18-21(12-15)30-22-14-23(29-3)20(26)13-19(22)25(18)17-9-7-6-8-16(17)24(28)31-25/h6-14H,4-5,26H2,1-3H3


name: 3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzoxazolium iodide
cas: 68006-75-7
dtxsid: DTXSID30987431
formula: C19H19N2OS
inchikey: ACCFQBRIRFGFKE-UHFFFAOYSA-M
norman_susdat_id: NS00055989
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[N+](=C1C=C3SC=4C=CC=CC4N3CC)CC
inchi:
InChI=1/C19H19N2OS.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1


name: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-3-methylbenzoxazolium iodide
cas: 68006-79-1
dtxsid: DTXSID90987432
formula: C20H19N2OS
inchikey: GIEGPGQLTDHWDN-UHFFFAOYSA-M
norman_susdat_id: NS00055549
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[N+](=C1C=CC=C3SC=4C=CC=CC4N3CC)C
inchi:
InChI=1/C20H19N2OS.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-8-13-19-21(2)15-9-4-6-11-17(15)23-19;/h4-14H,3H2,1-2H3;1H/q+1;/p-1


name: Oxazepam,Â glucuronide
cas: 6801-81-6
chebiid: CHEBI:168654
chemspiderid: 141329
formula: C21H19Cl1N2O8
inchikey: FIKQKGFUBZQEBL-IFBJMGMISA-N
norman_susdat_id: NS00009627
pubchem_cid: 160870
smiles: O[C@@H]1[C@@H](O)[C@H](OC2N=C(c3ccccc3)c3cc(Cl)ccc3N=C2O)O[C@@H]([C@H]1O)C(O)=O
inchi:
InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21-/m0/s1


name: 9-Hydroxymethyl-10-carbamoylacridan
cas: 68011-71-2
chemspiderid: 119185
formula: C15H14N2O2
inchikey: UMRKOEWAECPINL-UHFFFAOYSA-N
norman_susdat_id: NS00007636
pubchem_cid: 135291
smiles: NC(=O)N1C2=CC=CCC2=C(CO)c2ccccc12
inchi:
InChI=1S/C15H14N2O2/c16-15(19)17-13-7-3-1-5-10(13)12(9-18)11-6-2-4-8-14(11)17/h1-5,7-8,18H,6,9H2,(H2,16,19)


name: Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester
cas: 68015-60-1
chemspiderid: 95773
dtxsid: DTXSID7070979
formula: C27H26N2O6S2
inchikey: XSHPYHIIELUPAR-UHFFFAOYSA-N
norman_susdat_id: NS00036349
pubchem_cid: 106363
smiles: CC(C)(c1ccc(OS(=O)(=O)c2ccccc2N)cc1)c1ccc(OS(=O)(=O)c2ccccc2N)cc1
inchi:
InChI=1S/C27H26N2O6S2/c1-27(2,19-11-15-21(16-12-19)34-36(30,31)25-9-5-3-7-23(25)28)20-13-17-22(18-14-20)35-37(32,33)26-10-6-4-8-24(26)29/h3-18H,28-29H2,1-2H3


cas: 68015-68-9
formula: C33H69N3O6
norman_susdat_id: NS00101796
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1-[[2-[[2-[bis(2-hydroxyethyl)amino]ethyl](2-hydroxyethyl)amino]ethyl](2-hydroxyethyl)amino]-3-[(9Z)-9-octadecenyloxy]-2-propanol (4:1)


cas: 68015-82-7
formula: C9H18O6
norman_susdat_id: NS00101547
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with tetrahydro-4-hydroxy-2H-pyran-3,3,5,5-tetramethanol (5:1)


name: Tribenzylammonium acetate
cas: 68015-83-8
formula: C21H21N.C2H4O2
inchikey: XWIAZRSRQTXXJW-UHFFFAOYSA-N
norman_susdat_id: NS00088141
smiles: CC(=O)[O-].C([NH+](Cc1ccccc1)Cc2ccccc2)c3ccccc3
inchi:
InChI=1/C21H21N.C2H4O2/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-2(3)4/h1-15H,16-18H2;1H3,(H,3,4)


name: Hexanoic acid, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-, compd. with ethanamine (1:1)
cas: 68015-84-9
dtxsid: DTXSID1070983
formula: C9H8F13NO2
inchikey: YSXXTTJIKUEKFH-UHFFFAOYSA-N
norman_susdat_id: NS00109189
smiles: CCN.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C7HF13O2.C2H7N/c8-2(9,1(21)22)4(11,12)5(13,14)3(10,6(15,16)17)7(18,19)20;1-2-3/h(H,21,22);2-3H2,1H3


name: Ethanaminium perfluoro-9-methyldecanoate
cas: 68015-85-0
dtxsid: DTXSID6070984
formula: C13H8F21NO2
inchikey: JKTIKJAUCOVFKU-UHFFFAOYSA-N
norman_susdat_id: NS00110910
smiles: CCN.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11HF21O2.C2H7N/c12-2(13,1(33)34)4(15,16)6(19,20)8(23,24)9(25,26)7(21,22)5(17,18)3(14,10(27,28)29)11(30,31)32;1-2-3/h(H,33,34);2-3H2,1H3


name: Perfluoro-7-(trifluoromethyl)octanoic acid ethanamine
cas: 68015-86-1
dtxsid: DTXSID1070985
formula: C11H8F17NO2
inchikey: IBCYNFOMOJBVTA-UHFFFAOYSA-N
norman_susdat_id: NS00109190
smiles: CCN.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2.C2H7N/c10-2(11,1(27)28)4(13,14)6(17,18)7(19,20)5(15,16)3(12,8(21,22)23)9(24,25)26;1-2-3/h(H,27,28);2-3H2,1H3


name: Perfluoro-11-methyldodecanoic acid compd. with ethanamine
cas: 68015-87-2
dtxsid: DTXSID6070986
formula: C15H8F25NO2
inchikey: DDJCBWZGWXXGAS-UHFFFAOYSA-N
norman_susdat_id: NS00110911
inchi:
InChI=1S/C13HF25O2.C2H7N/c14-2(15,1(39)40)4(17,18)6(21,22)8(25,26)10(29,30)11(31,32)9(27,28)7(23,24)5(19,20)3(16,12(33,34)35)13(36,37)38;1-2-3/h(H,39,40);2-3H2,1H3

smiles:
CC[NH3+].[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)(C(F)(F)F)C(F)(F)F


name: 2,5-dibutoxy-4-(morpholino)benzenediazonium hexafluorophosphate
cas: 68015-88-3
formula: C18H28N3O3.F6P
inchikey: UOHYWZVNZPYLAM-UHFFFAOYSA-N
norman_susdat_id: NS00087928
smiles: CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C18H28N3O3.F6P/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-7(2,3,4,5)6/h13-14H,3-12H2,1-2H3;/q+1;-1


name: 4-[benzyl(ethyl)amino]benzenediazonium hexafluorophosphate
cas: 68015-89-4
formula: C15H16N3.F6P
inchikey: ALNGIPXYBDFCFA-UHFFFAOYSA-N
norman_susdat_id: NS00087929
smiles: CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C15H16N3.F6P/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;1-7(2,3,4,5)6/h3-11H,2,12H2,1H3;/q+1;-1


name: 3-methyl-4-(pyrrolidin-1-yl)benzenediazonium hexafluorophosphate (1:1)
cas: 68015-90-7
formula: C11H14N3.F6P
inchikey: BCDOECPTJJJCQZ-UHFFFAOYSA-N
norman_susdat_id: NS00087930
smiles: Cc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C11H14N3.F6P/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1


name: 3-chloro-4-(1-pyrrolidinyl)benzenediazonium hexafluorophosphate
cas: 68015-92-9
dtxsid: DTXSID20887118
formula: C10H11ClN3
inchikey: UTZHTHLMGIMKCD-UHFFFAOYSA-N
norman_susdat_id: NS00056096
pubchem_cid: 53470552
smiles: N#[N+]C1=CC=C(C(Cl)=C1)N2CCCC2.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C10H11ClN3.F6P/c11-9-7-8(13-12)3-4-10(9)14-5-1-2-6-14;1-7(2,3,4,5)6/h3-4,7H,1-2,5-6H2;/q+1;-1


name: Octadec-2-enylsuccinic acid
cas: 68015-93-0
formula: C22H40O4
inchikey: OVQJAEGJPUEXQD-UHFFFAOYSA-N
norman_susdat_id: NS00088142
smiles: OC(=O)C(CC=CCCCCCCCCCCCCCCC)CC(O)=O
inchi:
InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h16-17,20H,2-15,18-19H2,1H3,(H,23,24)(H,25,26)


name: 4-[bis(benzoyl)amino]-2,5-diethoxybenzenediazonium sulphate
cas: 68015-97-4
dtxsid: DTXSID6070988
formula: C24H22N3O4
inchikey: JGBUAMUCCZLTBW-UHFFFAOYSA-L
norman_susdat_id: NS00055569
pubchem_cid: 21118134
inchi:
InChI=1/2C24H22N3O4.H2O4S/c2*1-3-30-21-16-20(22(31-4-2)15-19(21)26-25)27(23(28)17-11-7-5-8-12-17)24(29)18-13-9-6-10-14-18;1-5(2,3)4/h2*5-16H,3-4H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
N#[N+]C=1C=C(OCC)C(=CC1OCC)N(C(=O)C=2C=CC=CC2)C(=O)C=3C=CC=CC3.N#[N+]C=1C=C(OCC)C(=CC1OCC)N(C(=O)C=2C=CC=CC2)C(=O)C=3C=CC=CC3.O=S(=O)([O-])[O-]


name: Lactic acid, compound with N-[2-[(2-hydroxyethyl)amino]ethyl]octadecanamide (1:1)
cas: 68016-02-4
formula: C22H46N2O2.C3H6O3
inchikey: KPYQBPNFLHDHGG-UHFFFAOYSA-N
norman_susdat_id: NS00088610
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(O)C(=O)O
inchi:
InChI=1/C22H46N2O2.C3H6O3/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;1-2(4)3(5)6/h23,25H,2-21H2,1H3,(H,24,26);2,4H,1H3,(H,5,6)


name: 2-Naphthalenecarboxamide, 4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-3-hydroxy-N-phenyl-
cas: 68016-05-7
dtxsid: DTXSID0070992
formula: C25H20N4O4
inchikey: ZWPGSNPNNSTONK-UHFFFAOYSA-N
norman_susdat_id: NS00056132
pubchem_cid: 106380
smiles: O=C(N)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4)=C1
inchi:
InChI=1/C25H20N4O4/c1-33-21-12-11-16(24(26)31)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)25(32)27-17-8-3-2-4-9-17/h2-14,30H,1H3,(H2,26,31)(H,27,32)


name: 4-[[5-(aminocarbonyl)-2-methylphenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
cas: 68016-06-8
dtxsid: DTXSID5070993
formula: C26H22N4O3
inchikey: BDBJLAKMKQMELG-UHFFFAOYSA-N
norman_susdat_id: NS00056918
pubchem_cid: 106381
smiles: O=C(N)C1=CC=C(C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4C)=C1)C
inchi:
InChI=1/C26H22N4O3/c1-15-7-3-6-10-21(15)28-26(33)20-13-17-8-4-5-9-19(17)23(24(20)31)30-29-22-14-18(25(27)32)12-11-16(22)2/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)


name: Sodium 3-carboxylato-1-[2-hydroxy-3-[4-(hydroxysulphonatomethyl)phenoxy]propyl]pyridinium
cas: 68016-08-0
dtxsid: DTXSID20987440
formula: C16H18NO8S
inchikey: HDCCHEFIBNGPMS-UHFFFAOYSA-M
norman_susdat_id: NS00056133
pubchem_cid: 73556237
smiles: [Na+].O=C([O-])C1=CC=C[N+](=C1)CC(O)COC2=CC=C(C=C2)C(O)S(=O)(=O)[O-]
inchi:
InChI=1/C16H17NO8S.Na/c18-13(9-17-7-1-2-12(8-17)15(19)20)10-25-14-5-3-11(4-6-14)16(21)26(22,23)24;/h1-8,13,16,18,21H,9-10H2,(H-,19,20,22,23,24);/q;+1/p-1


cas: 68016-23-9
formula: C16H36NO
norman_susdat_id: NS00101836
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(dodecyldimethylammonio)ethyl]-.omega.-hydroxy-, sulfate (2:1) (salt)


cas: 68025-14-9
formula: C21H36O4
norman_susdat_id: NS00101285
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ester with 5(or 6)-carboxy-4-hexyl-2-cyclohexene-1-propanoic acid (2:1)


cas: 68025-20-7
formula: C39H40N10O11S2
inchikey: MPXKRGINDHTNJZ-HPAIREQNSA-L
norman_susdat_id: NS00056134
pubchem_cid: NA
name:
Disodium 5-[[6-anilino-4-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[6-anilino-4-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]vinyl]benzenesulphonate

inchi:
InChI=1/C39H40N10O11S2.2Na/c1-25(51)24-60-39-48-35(41-29-10-6-3-7-11-29)45-37(49-39)43-31-17-15-27(33(23-31)62(55,56)57)13-12-26-14-16-30(22-32(26)61(52,53)54)42-36-44-34(40-28-8-4-2-5-9-28)46-38(47-36)59-21-20-58-19-18-50;;/h2-17,22-23,25,50-51H,18-21,24H2,1H3,(H,52,53,54)(H,55,56,57)(H2,40,42,44,46,47)(H2,41,43,45,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC=4C=CC=CC4)OCC(O)C)NC=5N=C(N=C(N5)NC=6C=CC=CC6)OCCOCCO


name: 5-[(butylsulphonyl)amino]-2-methoxybenzenediazonium chloride, compound with zinc chloride
cas: 68025-23-0
dtxsid: DTXSID60987449
formula: C11H16N3O3S
inchikey: KHYVVODILRLXFF-UHFFFAOYSA-K
norman_susdat_id: NS00055593
pubchem_cid: 106386
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N#[N+]C1=CC(=CC=C1OC)NS(=O)(=O)CCCC
inchi:
InChI=1/C11H16N3O3S.3ClH.Zn/c1-3-4-7-18(15,16)14-9-5-6-11(17-2)10(8-9)13-12;;;;/h5-6,8,14H,3-4,7H2,1-2H3;3*1H;/q+1;;;;+2/p-3


name: 2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium
cas: 68025-27-4
dtxsid: DTXSID0070996
formula: C22H26NO5S
inchikey: HBFKQGKELXIJKJ-UHFFFAOYSA-N
norman_susdat_id: NS00056919
pubchem_cid: 106390
smiles: O=S(=O)([O-])CCC[N+]1=C(OC2=CC=C(C=C21)C=3C=CC=CC3)C=C(OCC)CC
inchi:
InChI=1/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3


name: 1,1,12,12-Dodecanetetracarboxylic acid
cas: 68025-28-5
chemspiderid: 95793
dtxsid: DTXSID5070997
formula: C16H26O8
inchikey: UTCXESIWEYTBMM-UHFFFAOYSA-N
norman_susdat_id: NS00036352
pubchem_cid: 106392
smiles: OC(=O)C(CCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O
inchi:
InChI=1S/C16H26O8/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: Tetrasodium dodecane-1,1,12,12-tetracarboxylate
cas: 68025-29-6
formula: C16H26O8.4Na
inchikey: CCNHWNVAPLGXCO-UHFFFAOYSA-J
norman_susdat_id: NS00088611
smiles: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)C(CCCCCCCCCCC(C(=O)[O-])C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C16H26O8.4Na/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24;;;;/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4


name: Bis(1,1-dimethylethyl)dodecylphenol
cas: 68025-37-6
chemspiderid: 17215591
dtxsid: DTXSID7029405
formula: C26H46O1
inchikey: QFUURYPTNVKKAX-UHFFFAOYSA-N
norman_susdat_id: NS00019415
pubchem_cid: NA
smiles: CCCCCCC(CCC(CCc1ccc(cc1)O)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C26H46O/c1-8-9-10-11-12-22(25(2,3)4)17-18-23(26(5,6)7)16-13-21-14-19-24(27)20-15-21/h14-15,19-20,22-23,27H,8-13,16-18H2,1-7H3/t22-,23+/m1/s1


name: 3-chloro-4-(dibutylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 68025-46-7
formula: C14H21ClN3.1/2Cl4Zn
inchikey: MCSUKBYDOHURLJ-UHFFFAOYSA-J
norman_susdat_id: NS00087953
smiles: CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.CCCCN(CCCC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C14H21ClN3.4ClH.Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;;/h2*7-8,11H,3-6,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H21ClN3.Cl4Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-5(2,3)4/h2*7-8,11H,3-6,9-10H2,1-2H3;/q2*+1;-2


name: 4-(hexahydro-1H-azepin-1-yl)benzenediazonium trichlorozincate
cas: 68025-48-9
dtxsid: DTXSID70887123
formula: C12H16N3
inchikey: VAYACCULIOUJKI-UHFFFAOYSA-K
norman_susdat_id: NS00056037
pubchem_cid: 106410
smiles: N#[N+]C1=CC=C(C=C1)N2CCCCCC2.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C12H16N3.3ClH.Zn/c13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;;;;/h5-8H,1-4,9-10H2;3*1H;/q+1;;;;+2/p-3/rC12H16N3.Cl3Zn/c13-14-11-5-7-12(8-6-11)15-9-3-1-2-4-10-15;1-4(2)3/h5-8H,1-4,9-10H2;/q+1;-1


cas: 68025-57-0
formula: C60H110O9
norman_susdat_id: NS00101764
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with D-glucitol (3:1), tri-(9Z)-9-octadecenoate


name: Calcium 4-[(4-chloro-3-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 68025-61-6
dtxsid: DTXSID9071004
formula: C18H13ClN2O6S
inchikey: PIQFFHBHQFVQLL-UHFFFAOYSA-L
norman_susdat_id: NS00055594
pubchem_cid: 106412
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC=C(Cl)C(=C3S(=O)(=O)[O-])C)=C1O
inchi:
InChI=1/C18H13ClN2O6S.Ca/c1-9-13(19)6-7-14(17(9)28(25,26)27)20-21-15-11-5-3-2-4-10(11)8-12(16(15)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Perfluoro-13-(methyl)tetradecanoyl fluoride
cas: 68025-62-7
chemspiderid: 95811
dtxsid: DTXSID4071005
formula: C15F30O1
inchikey: ULTHBMBLJPAOJW-UHFFFAOYSA-N
norman_susdat_id: NS00011275
pubchem_cid: 106413
inchi:
InChI=1S/C15F30O/c16-1(46)2(17,18)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(19,14(40,41)42)15(43,44)45

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


name: S-(p-nitrobenzyl)glutathione
cas: 6803-19-6
chebiid: CHEBI:87407
dtxsid: DTXSID00987463
formula: C17H22N4O8S
inchikey: OAWORKDPTSAMBZ-STQMWFEESA-N
norman_susdat_id: NS00069538
pubchem_cid: 97538
smiles: N[C@@H](CCC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O
inchi:
InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1


name: 4-[(1,3-dioxobutyl)amino]naphthalene-1-sulphonic acid
cas: 68030-71-7
dtxsid: DTXSID40987482
formula: C14H13NO5S
inchikey: PRLIMMHXFBMDPL-UHFFFAOYSA-N
norman_susdat_id: NS00056039
pubchem_cid: 3017825
smiles: O=C(NC1=CC=C(C=2C=CC=CC12)S(=O)(=O)O)CC(=O)C
inchi:
InChI=1/C14H13NO5S/c1-9(16)8-14(17)15-12-6-7-13(21(18,19)20)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,15,17)(H,18,19,20)


cas: 68037-22-9
dtxsid: DTXSID30897662
norman_susdat_id: NS00110167
name:
2-Butenedioic acid (2E)-, bis(γ-ω-perfluoro-C4-20-alkyl) esters, polymers with 1-(ethenyloxy)butanol, ethylene, 1,4-hexadiene and propene


cas: 68037-23-0
dtxsid: DTXSID40880580
norman_susdat_id: NS00110255
name:
1,4-Butanediol, 2,3-bis[(.gamma.-.omega.-perfluoro-C6-20-alkyl)thio]-, polymer with 1,6-diisocyanatotrimethylhexane and 2,2'-(methylimino)bis[ethanol]


cas: 68037-64-9
dtxsid: DTXSID6096429
norman_susdat_id: NS00113078
name:
Siloxanes and Silicones, di-Me, Me hydrogen, reaction products with polyethylene-polypropylene glycol monoacetate allyl ether


cas: 68039-09-8
formula: C13H22NO
norman_susdat_id: NS00101302
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[diethyl(phenylmethyl)ammonio]ethyl]-.omega.-hydroxy-, chloride


name: Sodium butyl 8-sulphonatooleate
cas: 68039-10-1
dtxsid: DTXSID40893615
formula: C22H42O5S
inchikey: YPAGQTYPCZFMHF-SBBUSYCLSA-M
norman_susdat_id: NS00063138
pubchem_cid: NA
smiles: [Na+].O=C(OCCCC)CCCCCCC(C=CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O5S.Na/c1-3-5-7-8-9-10-11-14-17-21(28(24,25)26)18-15-12-13-16-19-22(23)27-20-6-4-2;/h14,17,21H,3-13,15-16,18-20H2,1-2H3,(H,24,25,26);/q;+1/p-1


name: 1-Ethyl-2-(heptadec-8-en-1-yl)-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium ethyl sulfate
cas: 68039-12-3
chemspiderid: 4941781
dtxsid: DTXSID5052385
formula: C24H48N2O1
inchikey: FKWUKIQLDIORHQ-UHFFFAOYSA-M
norman_susdat_id: NS00020692
pubchem_cid: 109623
smiles: OS(=O)(=O)[O-].CCCCCCCC/C=C/CCCCCCC[C+]1N(CC)CCN1CCO
inchi:
InChI=1S/C24H48N2O/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/h11-12,24,27H,3-10,13-23H2,1-2H3/b12-11+/t24-/m0/s1


name: Acetamide, N-[4-[(2-hydroxyethyl)sulfonyl]-2,5-dimethoxyphenyl]-
cas: 68039-15-6
chemspiderid: 86568
dtxsid: DTXSID9071008
formula: C12H17N1O6S1
inchikey: OVVZJBVGJCOWFB-UHFFFAOYSA-N
norman_susdat_id: NS00036357
pubchem_cid: 106431
smiles: COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)CCO
inchi:
InChI=1S/C12H17NO6S/c1-8(15)13-9-6-11(19-3)12(7-10(9)18-2)20(16,17)5-4-14/h6-7,14H,4-5H2,1-3H3,(H,13,15)


name: 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)-
cas: 68039-17-8
chemspiderid: 95824
dtxsid: DTXSID4071009
formula: C13H22N4O2
inchikey: WRRAOGAZOQEGQE-UHFFFAOYSA-N
norman_susdat_id: NS00036358
pubchem_cid: 106432
smiles: CN(CCCN)CCCNc1c(cccc1)[N+](=O)[O-]
inchi:
InChI=1S/C13H22N4O2/c1-16(10-4-8-14)11-5-9-15-12-6-2-3-7-13(12)17(18)19/h2-3,6-7,15H,4-5,8-11,14H2,1H3


name: Citric acid, ammonium manganese(2+) salt
cas: 68039-18-9
formula: C6H8O7.xH3N.xMn
inchikey: SGMWFNZLRCYBAO-UHFFFAOYSA-N
norman_susdat_id: NS00091511
smiles: [Mn].N.O=C(O)CC(O)(CC(=O)O)C(O)=O
inchi:
InChI=1/C6H8O7.Mn.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;


name: Hexanamide, N-[3-[(12-aminododecyl)amino]propyl]-6-[(1-oxohexyl)amino]-
cas: 68039-21-4
chemspiderid: 94983
dtxsid: DTXSID8071011
formula: C27H56N4O2
inchikey: RYRBLABDYLACMW-UHFFFAOYSA-N
norman_susdat_id: NS00022667
pubchem_cid: 106435
smiles: CCCCCC(=O)NCCCCCC(=O)NCCCNCCCCCCCCCCCCN
inchi:
InChI=1S/C27H56N4O2/c1-2-3-13-19-26(32)30-24-17-12-14-20-27(33)31-25-18-23-29-22-16-11-9-7-5-4-6-8-10-15-21-28/h29H,2-25,28H2,1H3,(H,30,32)(H,31,33)


name: SODIUM LAUROAMPHO- HYDROXYPROPYLSULFO- NATE
cas: 68039-23-6
chemspiderid: NA
formula: C19H40N2O5S1
inchikey: JPZZJXMARQFUAS-UHFFFAOYSA-N
norman_susdat_id: NS00014064
pubchem_cid: NA
smiles: [Na+].CCCCCCCCCCC[C+]1N(CCO)CCN1CC([O-])C[S]([O-])(=O)=O
inchi:
InChI=1S/C19H38N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-19-20(14-15-22)12-13-21(19)16-18(23)17-27(24,25)26;/h18,22H,2-17H2,1H3,(H,24,25,26);/q;+1/p-1


name: Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
cas: 68039-29-2
chemspiderid: 4941783
dtxsid: DTXSID90887105
formula: C19H34O2
inchikey: WVOMTKJRDMPOCF-OBGWFSINSA-N
norman_susdat_id: NS00012502
pubchem_cid: 6437207
smiles: CCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
inchi:
InChI=1S/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+


name: Methyl 2-[[[3-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoate
cas: 68039-34-9
dtxsid: DTXSID70867445
formula: C21H29NO3
inchikey: SHVPQYKJRHVCDY-UHFFFAOYSA-N
norman_susdat_id: NS00063709
pubchem_cid: 107064
smiles: O=C(OC)C=1C=CC=CC1N=CC2CC(=CCC2)CCCC(O)(C)C
inchi:
InChI=1/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,17,24H,6-7,9-10,13-14H2,1-3H3


name: Benzenemethanol, 4-amino-.alpha.-(4-aminophenyl)-.alpha.-[4-(phenylamino)phenyl]-
cas: 68039-51-0
chemspiderid: 71423
dtxsid: DTXSID3071016
formula: C25H23N3O1
inchikey: PKYBTWMTSARYJR-UHFFFAOYSA-N
norman_susdat_id: NS00036361
pubchem_cid: 106444
smiles: Nc1ccc(cc1)C(O)(c1ccc(N)cc1)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C25H23N3O/c26-21-12-6-18(7-13-21)25(29,19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23/h1-17,28-29H,26-27H2


name: 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis[N-phenylaniline] monohydrochloride
cas: 68039-52-1
dtxsid: DTXSID30886778
formula: C31H25N3
inchikey: MEZKZGRAPVWJPF-UHFFFAOYSA-N
norman_susdat_id: NS00063741
pubchem_cid: NA
smiles: Cl.N=C1C=CC(C=C1)=C(C2=CC=C(C=C2)NC=3C=CC=CC3)C4=CC=C(C=C4)NC=5C=CC=CC5
inchi:
InChI=1/C31H25N3.ClH/c32-26-17-11-23(12-18-26)31(24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28;/h1-22,32-34H;1H


cas: 68039-59-8
formula: C36H70O4
norman_susdat_id: NS00101778
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-(9-nonyl-10-octyl-1,19-dioxo-1,19-nonadecanediyl)bis[.omega.-hydroxy-


name: 2-(3-Methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
cas: 68047-40-5
chemspiderid: 87443
dtxsid: DTXSID60218225
formula: C19H14N2O2
inchikey: SKSQMTDHWXDWFS-UHFFFAOYSA-N
norman_susdat_id: NS00036367
pubchem_cid: 96846
smiles: COc1cccc(c1)c1nnc(o1)c1ccc2ccccc2c1
inchi:
InChI=1S/C19H14N2O2/c1-22-17-8-4-7-15(12-17)18-20-21-19(23-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3


name: Azafenidin
cas: 68049-83-2
chebiid: CHEBI:2943
chemspiderid: 391330
dtxsid: DTXSID2034205
formula: C15H13Cl2N3O2
inchikey: XOEMATDHVZOBSG-UHFFFAOYSA-N
norman_susdat_id: NS00036369
pubchem_cid: 443029
smiles: C#CCOc1cc(N2C(=O)N3CCCCC3=N2)c(Cl)cc1Cl
inchi:
InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2


name: Ferulenol
cas: 6805-34-1
chemspiderid: 10604740
formula: C24H30O3
inchikey: NJJDBBUWWOAOLD-UHFFFAOYSA-N
norman_susdat_id: NS00005921
pubchem_cid: 54683686
smiles: CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O
inchi:
InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3


cas: 68052-01-7
formula: C27H50O7
norman_susdat_id: NS00101240
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with tetrahydro-4-hydroxy-2H-pyran-3,3,5,5-tetramethanol mono-(9Z)-9-octadecenoate (4:1)


name: 4-(diethylamino)-2,5-diethoxybenzenediazonium tetrafluoroborate
cas: 68052-06-2
formula: C14H22N3O2.BF4
inchikey: QBHJWGNOOPKIRU-UHFFFAOYSA-N
norman_susdat_id: NS00092265
smiles: CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N.F[B-](F)(F)F
inchi:
InChI=1/C14H22N3O2.BF4/c1-5-17(6-2)12-10-13(18-7-3)11(16-15)9-14(12)19-8-4;2-1(3,4)5/h9-10H,5-8H2,1-4H3;/q+1;-1


name: 2,5-diethoxy-4-(pyrrolidin-1-yl)benzenediazonium tetrafluoroborate
cas: 68052-11-9
formula: C14H20N3O2.BF4
inchikey: WQHVNJMUTDYLEJ-UHFFFAOYSA-N
norman_susdat_id: NS00091665
smiles: CCOc1cc(N2CCCC2)c(OCC)cc1[N+]#N.F[B-](F)(F)F
inchi:
InChI=1/C14H20N3O2.BF4/c1-3-18-13-10-12(17-7-5-6-8-17)14(19-4-2)9-11(13)16-15;2-1(3,4)5/h9-10H,3-8H2,1-2H3;/q+1;-1


name: 2,2,4-Trimethylpentane-1,3-diyl dibenzoate
cas: 68052-23-3
chemspiderid: 96353
dtxsid: DTXSID8041242
formula: C22H26O4
inchikey: FTSXVYQZLNPTCM-UHFFFAOYNA-N
norman_susdat_id: NS00019743
pubchem_cid: NA
smiles: CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1
inchi:
InChI=1S/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3/t19-/m0/s1


name: Dicyclohexylammonium phosphate (3:1)
cas: 68052-37-9
formula: C12H23N.1/3H3O4P
inchikey: SAXQIRRYXYQXCQ-UHFFFAOYSA-N
norman_susdat_id: NS00091261
smiles: [O-]P(=O)([O-])[O-].C1CCC(CC1)[NH2+]C2CCCCC2.C3CCC(CC3)[NH2+]C4CCCCC4.C5CCC(CC5)[NH2+]C6CCCCC6
inchi:
InChI=1/3C12H23N.H3O4P/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h3*11-13H,1-10H2;(H3,1,2,3,4)


name: Undec-10-enoic acid, compound with 1-aminopropan-2-ol (1:1)
cas: 68052-42-6
formula: C11H20O2.C3H9NO
inchikey: LZHOZIXVTRGBKD-UHFFFAOYSA-N
norman_susdat_id: NS00091279
smiles: CC(O)CN.OC(=O)CCCCCCCCC=C
inchi:
InChI=1/C11H20O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3(5)2-4/h2H,1,3-10H2,(H,12,13);3,5H,2,4H2,1H3


name: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(dimethylamino)-4-methoxyphenyl]-
cas: 68052-45-9
chemspiderid: 95868
dtxsid: DTXSID5071042
formula: C17H17Br1N6O6
inchikey: GBPDMIVQWNYIEM-UHFFFAOYSA-N
norman_susdat_id: NS00036385
pubchem_cid: 106483
smiles: COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(C)C
inchi:
InChI=1S/C17H17BrN6O6/c1-9(25)19-12-7-14(22(2)3)16(30-4)8-13(12)20-21-17-11(18)5-10(23(26)27)6-15(17)24(28)29/h5-8H,1-4H3,(H,19,25)/b21-20+


name: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)methylamino]-4-methoxyphenyl]-
cas: 68052-46-0
chemspiderid: 95869
dtxsid: DTXSID0071043
formula: C19H18Br1N7O6
inchikey: DRFGZSNORGHVNW-UHFFFAOYSA-N
norman_susdat_id: NS00036386
pubchem_cid: 106484
smiles: COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(C)CCC#N
inchi:
InChI=1S/C19H18BrN7O6/c1-11(28)22-14-9-16(25(2)6-4-5-21)18(33-3)10-15(14)23-24-19-13(20)7-12(26(29)30)8-17(19)27(31)32/h7-10H,4,6H2,1-3H3,(H,22,28)/b24-23+


name: Tributylethylammonium hydrogen sulphate
cas: 68052-50-6
formula: C14H32N.HO4S
inchikey: ZVLLREDZJNHSGI-UHFFFAOYSA-L
norman_susdat_id: NS00091281
smiles: CCCC[N+](CC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C14H32N.H2O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-5(2,3)4/h5-14H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Perfluoro-13-methyltetradecanoic acid compd. with ethanamine
cas: 68052-68-6
dtxsid: DTXSID0071047
formula: C17H8F29NO2
inchikey: VIZSCVXDHHKCBQ-UHFFFAOYSA-N
norman_susdat_id: NS00108836
inchi:
InChI=1S/C15HF29O2.C2H7N/c16-2(17,1(45)46)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)13(37,38)11(33,34)9(29,30)7(25,26)5(21,22)3(18,14(39,40)41)15(42,43)44;1-2-3/h(H,45,46);2-3H2,1H3

smiles:
CC[NH3+].[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)(C(F)(F)F)C(F)(F)F


name: Potassium sodium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate
cas: 68057-99-8
formula: C30H22N6O6S2.K.Na
inchikey: ACXNMSHTEIVGRM-YHPRVSEPSA-L
norman_susdat_id: NS00091397
smiles: [Na+].[K+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6
inchi:
InChI=1/C30H22N6O6S2.K.Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2


name: trans-4'-(4-pentylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile
cas: 68065-81-6
dtxsid: DTXSID80887134
formula: C24H29N
inchikey: QKEBUASRTJNJJS-UHFFFAOYSA-N
norman_susdat_id: NS00063160
pubchem_cid: 106491
smiles: N#CC=1C=CC(=CC1)C2=CC=C(C=C2)C3CCC(CCCCC)CC3
inchi:
InChI=1/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3


name: 5-oxo-L-proline, compound with dicyclohexylamine (1:1)
cas: 68067-13-0
formula: C12H23N.C5H7NO3
inchikey: CVGYJNBFLSPBEX-HVDRVSQOSA-N
norman_susdat_id: NS00091282
smiles: OC(=O)[C@@H]1CCC(=O)N1.C2CCC(CC2)NC3CCCCC3
inchi:
InChI=1/C12H23N.C5H7NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-2-1-3(6-4)5(8)9/h11-13H,1-10H2;3H,1-2H2,(H,6,7)(H,8,9)


name: Pentaacetyl-alpha-D-glucopyranose
cas: 68069-84-1
chemspiderid: 4957979
dtxsid: DTXSID00218284
formula: C16H22O11
inchikey: CROSTDAMOFQQPQ-LJIZCISZSA-N
norman_susdat_id: NS00036387
pubchem_cid: 6455726
smiles: CC(=O)O[C@]1(O[C@H](CO)[C@@H](O)[C@@](O)(C(=O)C)[C@]1(OC(=O)C)C(=O)C)C(=O)C
inchi:
InChI=1S/C16H22O11/c1-7(18)14(24)13(23)12(6-17)27-16(9(3)20,26-11(5)22)15(14,8(2)19)25-10(4)21/h12-13,17,23-24H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1


name: 4,4'-(4-Methylpentane-2,2-diyl)diphenol
cas: 6807-17-6
chemspiderid: 73315
dtxsid: DTXSID8029282
formula: C18H22O2
inchikey: VHLLJTHDWPAQEM-UHFFFAOYSA-N
norman_susdat_id: NS00008018
pubchem_cid: 81259
smiles: CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3


name: 4,4'-(1-methyloctylidene)bisphenol
cas: 6807-18-7
dtxsid: DTXSID10897382
formula: C21H28O2
inchikey: KBWOAGGPYKQCAO-UHFFFAOYSA-N
norman_susdat_id: NS00045601
pubchem_cid: 21918022
smiles: OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)(C)CCCCCCC
inchi:
InChI=1/C21H28O2/c1-3-4-5-6-7-16-21(2,17-8-12-19(22)13-9-17)18-10-14-20(23)15-11-18/h8-15,22-23H,3-7,16H2,1-2H3


name: 2,5-diethoxy-4-(ethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 68072-36-6
dtxsid: DTXSID50987519
formula: C12H18N3O2
inchikey: UVGXMIOSRBTQIE-UHFFFAOYSA-J
norman_susdat_id: NS00062956
pubchem_cid: 106494
smiles: N#[N+]C=1C=C(OCC)C(=CC1OCC)NCC.N#[N+]C=1C=C(OCC)C(=CC1OCC)NCC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C12H18N3O2.4ClH.Zn/c2*1-4-14-9-7-12(17-6-3)10(15-13)8-11(9)16-5-2;;;;;/h2*7-8,14H,4-6H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H18N3O2.Cl4Zn/c2*1-4-14-9-7-12(17-6-3)10(15-13)8-11(9)16-5-2;1-5(2,3)4/h2*7-8,14H,4-6H2,1-3H3;/q2*+1;-2


name: N,N'-(iminodiethylene)distearamide monoacetate
cas: 68072-50-4
formula: C40H81N3O2.C2H4O2
inchikey: YZOMNHPVJAYPSW-UHFFFAOYSA-N
norman_susdat_id: NS00092017
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C40H81N3O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45);1H3,(H,3,4)


name: N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine
cas: 68072-52-6
dtxsid: DTXSID0071049
formula: C66H132N6O6
inchikey: XADFCWWZSYBFEE-UHFFFAOYSA-N
norman_susdat_id: NS00062957
pubchem_cid: 106496
smiles: N=1C(=NC(=NC1N(COC)COCCCCCCCCCCCCCCCCCC)N(COC)COCCCCCCCCCCCCCCCCCC)N(COC)COCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C66H132N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-70(58-73-4)64-67-65(71(59-74-5)62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)69-66(68-64)72(60-75-6)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: Benzoic acid, 4-(3,4-dihydro-4,4,6-trimethyl-2-thioxo-1(2H)-pyrimidinyl)-
cas: 68072-55-9
chemspiderid: 2299187
dtxsid: DTXSID9071050
formula: C14H16N2O2S1
inchikey: ZYEUCFNXDKQSOD-UHFFFAOYSA-N
norman_susdat_id: NS00036388
pubchem_cid: 3034781
smiles: CC1=CC(C)(C)NC(=S)N1c1ccc(cc1)C(=O)O
inchi:
InChI=1S/C14H16N2O2S/c1-9-8-14(2,3)15-13(19)16(9)11-6-4-10(5-7-11)12(17)18/h4-8H,1-3H3,(H,15,19)(H,17,18)


cas: 6808-72-6
formula: C18H19NO3
inchikey: PNJUPRNTSWJWAX-ZDUSSCGKSA-N
norman_susdat_id: NS00045136
pubchem_cid: 73426
smiles: O=C1C=CC2(C=C1)C=3C(O)=C(OC)C=C4C3C(N(C)CC4)C2
name:
(S)-2,3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro[cyclohexa-2,5-diene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one

inchi:
InChI=1/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3


name: Diisotridecyl glutarate
cas: 68080-42-2
chemspiderid: 111477
dtxsid: DTXSID00218289
formula: C31H60O4
inchikey: BTSYMXKTNJMEHM-UHFFFAOYSA-N
norman_susdat_id: NS00036390
pubchem_cid: 208886
smiles: CC(C)CCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C31H60O4/c1-28(2)22-17-13-9-5-7-11-15-19-26-34-30(32)24-21-25-31(33)35-27-20-16-12-8-6-10-14-18-23-29(3)4/h28-29H,5-27H2,1-4H3


name: Di(isotridecyl) succinate
cas: 68080-43-3
chemspiderid: 4957981
dtxsid: DTXSID10218290
formula: C30H58O4
inchikey: DKRMJNVTRWIGQI-UHFFFAOYSA-N
norman_susdat_id: NS00036391
pubchem_cid: 6455728
smiles: CC(C)CCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C30H58O4/c1-27(2)21-17-13-9-5-7-11-15-19-25-33-29(31)23-24-30(32)34-26-20-16-12-8-6-10-14-18-22-28(3)4/h27-28H,5-26H2,1-4H3


cas: 68081-83-4
dtxsid: DTXSID00891758
norman_susdat_id: NS00108932
name:
Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis[2-[ethyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl] ester


name: 2-[2-(acetylphenylamino)vinyl]-3-ethyl-5-sulphonatobenzoxazolium
cas: 68083-28-3
dtxsid: DTXSID9071052
formula: C19H19N2O5S
inchikey: JHQQVABRANWCLG-UHFFFAOYSA-N
norman_susdat_id: NS00063233
pubchem_cid: NA
smiles: O=C(N(C=CC=1OC=2C=CC(=CC2[N+]1CC)S(=O)(=O)[O-])C=3C=CC=CC3)C
inchi:
InChI=1/C19H18N2O5S/c1-3-20-17-13-16(27(23,24)25)9-10-18(17)26-19(20)11-12-21(14(2)22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3


name: .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl ester
cas: 68083-29-4
chemspiderid: 153494
dtxsid: DTXSID4071053
formula: C16H24N2O5
inchikey: ARIQQHZBLXZETR-UHFFFAOYSA-N
norman_susdat_id: NS00036392
pubchem_cid: 176205
smiles: CCOC(=O)CCN(CCO)c1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C16H24N2O5/c1-4-23-16(21)7-8-18(9-10-19)14-11-13(17-12(2)20)5-6-15(14)22-3/h5-6,11,19H,4,7-10H2,1-3H3,(H,17,20)


name: Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile (1:1)
cas: 68083-35-2
formula: C12H11N3.C9H6O6
inchikey: GNLIGJLHRCFSDF-UHFFFAOYSA-N
norman_susdat_id: NS00091438
smiles: OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O.N#CCCn2ccnc2c3ccccc3
inchi:
InChI=1/C12H11N3.C9H6O6/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,5-6,8,10H,4,9H2;1-3H,(H,10,11)(H,12,13)(H,14,15)


name: Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-
cas: 68083-38-5
chemspiderid: 95887
dtxsid: DTXSID9071056
formula: C10H11N3O3S1
inchikey: INHXSMASASFALB-UHFFFAOYSA-N
norman_susdat_id: NS00022668
pubchem_cid: 106507
smiles: CC1=NN(C(=N)C1)c1cc(ccc1)S(=O)(=O)O
inchi:
InChI=1S/C10H11N3O3S/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6,11H,5H2,1H3,(H,14,15,16)/b11-10+


name: Benzenamine, N,N'-methanetetraylbis[3-isocyanato-2,4,6-tris(1-methylethyl)-
cas: 68083-39-6
chemspiderid: 95888
dtxsid: DTXSID4071057
formula: C33H44N4O2
inchikey: ZVVVXWVFRZDTFL-UHFFFAOYSA-N
norman_susdat_id: NS00036393
pubchem_cid: 106508
smiles: CC(C)c1cc(C(C)C)c(N=C=Nc2c(C(C)C)c(N=C=O)c(cc2C(C)C)C(C)C)c(C(C)C)c1N=C=O
inchi:
InChI=1S/C33H44N4O2/c1-18(2)24-13-26(20(5)6)32(36-16-38)28(22(9)10)30(24)34-15-35-31-25(19(3)4)14-27(21(7)8)33(37-17-39)29(31)23(11)12/h13-14,18-23H,1-12H3


name: Hexahydro-1,3,5-tris(o-tolyl)-1,3,5-triazine trihydrochloride
cas: 68083-44-3
dtxsid: DTXSID9071058
formula: C24H27N3
inchikey: KPTACZNHRGHPJZ-UHFFFAOYSA-N
norman_susdat_id: NS00063049
pubchem_cid: 106514
smiles: Cl.Cl.Cl.C=1C=CC(=C(C1)N2CN(C=3C=CC=CC3C)CN(C=4C=CC=CC4C)C2)C
inchi:
InChI=1/C24H27N3.3ClH/c1-19-10-4-7-13-22(19)25-16-26(23-14-8-5-11-20(23)2)18-27(17-25)24-15-9-6-12-21(24)3;;;/h4-15H,16-18H2,1-3H3;3*1H


name: 2-(2-heptadec-8-enyl-4,5-dihydro-1H-imidazol-1-yl)ethylamine hydroxyacetate
cas: 68083-46-5
formula: C22H43N3.C2H4O3
inchikey: HWYYGXDZVLQRPT-UHFFFAOYSA-N
norman_susdat_id: NS00091446
smiles: NCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC.OC(=O)CO
inchi:
InChI=1/C22H43N3.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;3-1-2(4)5/h9-10H,2-8,11-21,23H2,1H3;3H,1H2,(H,4,5)


cas: 68083-48-7
dtxsid: DTXSID10887142
formula: C20H36N4O4
inchikey: KYPAKYGHFWEDLY-UHFFFAOYSA-N
norman_susdat_id: NS00063507
pubchem_cid: 107095
smiles: O=C(ON=C(C)CC)NCC1(C)CC(NC(=O)ON=C(C)CC)CC(C)(C)C1
name:
Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime

inchi:
InChI=1/C20H36N4O4/c1-8-14(3)23-27-17(25)21-13-20(7)11-16(10-19(5,6)12-20)22-18(26)28-24-15(4)9-2/h16H,8-13H2,1-7H3,(H,21,25)(H,22,26)


name: Ethyldimethyl[3-[(1-oxopropyl)amino]propyl]ammonium ethyl sulphate
cas: 68083-52-3
dtxsid: DTXSID3071062
formula: C10H23N2O
inchikey: ATKRYJRIFWSIMN-UHFFFAOYSA-N
norman_susdat_id: NS00064537
pubchem_cid: 106519
smiles: O=C(NCCC[N+](C)(C)CC)CC.O=S(=O)([O-])OCC
inchi:
InChI=1/C10H22N2O.C2H6O4S/c1-5-10(13)11-8-7-9-12(3,4)6-2;1-2-6-7(3,4)5/h5-9H2,1-4H3;2H2,1H3,(H,3,4,5)


cas: 68084-09-3
dtxsid: DTXSID8071069
formula: C34H27N5O16S4
inchikey: ZWCNUFNKRHSFAK-UHFFFAOYSA-J
norman_susdat_id: NS00064539
pubchem_cid: NA
name:
Tetrasodium 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O16S4.4Na/c1-54-26-11-16(3-7-24(26)36-38-31-22-6-5-20(56(42,43)44)9-18(22)13-29(33(31)40)59(51,52)53)17-4-8-25(27(12-17)55-2)37-39-32-28(58(48,49)50)14-19-10-21(57(45,46)47)15-23(35)30(19)34(32)41;;;;/h3-15,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C(N)=CC(=CC6=CC5S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C4)S(=O)(=O)[O-]


cas: 68084-11-7
dtxsid: DTXSID60889919
formula: C30H23N6O9S2
inchikey: YCJWJPQJBNUPKK-UHFFFAOYSA-L
norman_susdat_id: NS00063511
pubchem_cid: 106535
name:
Disodium 7-[[4-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C30H22N6O9S2.2Na/c1-18-14-23(31-30(37)19-3-11-25(12-4-19)36(38)39)10-13-28(18)35-33-22-8-6-21(7-9-22)32-34-24-5-2-20-15-26(46(40,41)42)17-29(27(20)16-24)47(43,44)45;;/h2-17H,1H3,(H,31,37)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C2)C(=C1)C)C5=CC=C(C=C5)[N+](=O)[O-]


cas: 68084-12-8
dtxsid: DTXSID70889920
formula: C24H21N5O9S3
inchikey: UZJORLYSHGJKKO-UHFFFAOYSA-K
norman_susdat_id: NS00063535
pubchem_cid: 106537
name:
Trisodium 7-[[4-[[2-methyl-4-[(sulphonatomethyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C24H21N5O9S3.3Na/c1-15-10-19(25-14-39(30,31)32)8-9-23(15)29-27-18-6-4-17(5-7-18)26-28-20-3-2-16-11-21(40(33,34)35)13-24(22(16)12-20)41(36,37)38;;;/h2-13,25H,14H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(C=C4C)NCS(=O)(=O)[O-])C=C3)C=C2C(=C1)S(=O)(=O)[O-]


name: Trisodium 7-[[4-[(sulphonatomethyl)amino]phenyl]azo]naphthalene-1,3-disulphonate
cas: 68084-13-9
dtxsid: DTXSID30889921
formula: C17H15N3O9S3
inchikey: BUCCTKQQPWMCOW-UHFFFAOYSA-K
norman_susdat_id: NS00063292
pubchem_cid: 106539
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N=NC3=CC=C(C=C3)NCS(=O)(=O)[O-])C=C2C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C17H15N3O9S3.3Na/c21-30(22,23)10-18-12-3-5-13(6-4-12)19-20-14-2-1-11-7-15(31(24,25)26)9-17(16(11)8-14)32(27,28)29;;;/h1-9,18H,10H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3


cas: 68084-14-0
dtxsid: DTXSID90889922
formula: C28H20N6O9S2
inchikey: GGDIRZQYYPQPJE-UHFFFAOYSA-K
norman_susdat_id: NS00063316
pubchem_cid: NA
name:
Trisodium [[4-[[4-[(4-amino-7-sulphonato-1-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]phenyl]amino]oxoacetate

inchi:
InChI=1/C28H20N6O9S2.3Na/c29-23-9-10-25(21-13-17(44(38,39)40)5-7-19(21)23)34-33-24-11-12-26(22-14-18(45(41,42)43)6-8-20(22)24)32-31-16-3-1-15(2-4-16)30-27(35)28(36)37;;;/h1-14H,29H2,(H,30,35)(H,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C(=O)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


cas: 68084-15-1
dtxsid: DTXSID50889923
formula: C35H28N6O14S3
inchikey: XKUCKKSVLVHMNU-UHFFFAOYSA-K
norman_susdat_id: NS00064540
pubchem_cid: NA
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(2-methoxy-5-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C35H28N6O14S3.3Na/c1-54-27-6-4-3-5-25(27)38-40-31-29(57(48,49)50)15-18-13-20(7-10-23(18)33(31)42)36-35(44)37-21-8-11-24-19(14-21)16-30(58(51,52)53)32(34(24)43)41-39-26-17-22(56(45,46)47)9-12-28(26)55-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC(=CC=C6OC)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


name: 2,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-hydroxy-
cas: 68084-16-2
chemspiderid: 84285
dtxsid: DTXSID7071070
formula: C18H17N3O8S2
inchikey: RRMNLFKNUMFJTH-UHFFFAOYSA-N
norman_susdat_id: NS00036398
pubchem_cid: 106545
smiles: COc1cc(N=Nc2cc(cc3c2c(O)cc(c3)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1N
inchi:
InChI=1S/C18H17N3O8S2/c1-9-3-13(19)17(29-2)8-14(9)20-21-15-6-11(30(23,24)25)4-10-5-12(31(26,27)28)7-16(22)18(10)15/h3-8,22H,19H2,1-2H3,(H,23,24,25)(H,26,27,28)/b21-20+


name: 1-Naphthalenamine, 4-[(2-bromo-4,6-dinitrophenyl)azo]-N-ethyl-
cas: 68084-18-4
chemspiderid: 86819
dtxsid: DTXSID7071072
formula: C18H14Br1N5O4
inchikey: ZZOIADZSKZGBIZ-UHFFFAOYSA-N
norman_susdat_id: NS00036400
pubchem_cid: 106547
smiles: CCNc1c2ccccc2c(cc1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H14BrN5O4/c1-2-20-15-7-8-16(13-6-4-3-5-12(13)15)21-22-18-14(19)9-11(23(25)26)10-17(18)24(27)28/h3-10,20H,2H2,1H3/b22-21+


cas: 68084-22-0
dtxsid: DTXSID70889925
formula: C34H27N5O13S3
inchikey: WMPOYSDHUBXBPN-UHFFFAOYSA-K
norman_susdat_id: NS00063093
pubchem_cid: 106552
name:
Trisodium 4-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O13S3.3Na/c1-51-27-13-17(3-9-25(27)36-38-31-23-8-6-22(53(42,43)44)12-20(23)16-30(34(31)41)55(48,49)50)18-4-10-26(28(14-18)52-2)37-39-32-29(54(45,46)47)15-19-11-21(35)5-7-24(19)33(32)40;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])C(OC)=C4)S(=O)(=O)[O-]


cas: 68084-23-1
dtxsid: DTXSID7071074
formula: C34H27N5O17S4
inchikey: JTHOTXPCUHZJCW-UHFFFAOYSA-J
norman_susdat_id: NS00064541
pubchem_cid: NA
name:
Tetrasodium 4-amino-6-[[4'-[(1,8-dihydroxy-3,6-disulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C34H27N5O17S4.4Na/c1-55-24-10-15(3-6-20(24)36-38-22-8-5-19-26(58(46,47)48)14-27(59(49,50)51)31(35)30(19)33(22)41)16-4-7-21(25(11-16)56-2)37-39-32-28(60(52,53)54)12-17-9-18(57(43,44)45)13-23(40)29(17)34(32)42;;;;/h3-14,40-42H,35H2,1-2H3,(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=S(=O)([O-])C=1C=C(O)C2=C(O)C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=CC=6C(C5O)=C(N)C(=CC6S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C4)=C(C=C2C1)S(=O)(=O)[O-]


cas: 68084-47-9
formula: C26H38O4
norman_susdat_id: NS00101356
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[butylidenebis[2-(1,1-dimethylethyl)-5-methoxy-4,1-phenylene]]bis[.omega.-hydroxy-


name: Phenol, 2,4(or 2,6)-bis(phenylmethyl)-
cas: 68084-54-8
chemspiderid: 95025
dtxsid: DTXSID2071079
formula: C20H18O1
inchikey: YZKPJAZHLHPYBZ-UHFFFAOYSA-N
norman_susdat_id: NS00036403
pubchem_cid: 106566
smiles: Oc1c(Cc2ccccc2)cc(Cc2ccccc2)cc1
inchi:
InChI=1S/C20H18O/c21-20-12-11-18(13-16-7-3-1-4-8-16)15-19(20)14-17-9-5-2-6-10-17/h1-12,15,21H,13-14H2


name: 2-Propenoic acid, 2-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
cas: 68084-62-8
chemspiderid: 95929
dtxsid: DTXSID1071080
formula: C13H10F15N1O4S1
inchikey: BEYGZFVOTUDDJK-UHFFFAOYSA-N
norman_susdat_id: NS00011224
pubchem_cid: 106569
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)COC(=O)C=C
inchi:
InChI=1S/C13H10F15NO4S/c1-3-6(30)33-5-4-29(2)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h3H,1,4-5H2,2H3


name: alpha-Cyhalothrin
cas: 68085-85-8
chebiid: CHEBI:4035
chemspiderid: 4445166
dtxsid: DTXSID6023997
formula: C23H19Cl1F3N1O3
inchikey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N
norman_susdat_id: NS00009539
pubchem_cid: 5281873
smiles: CC1(C)C(C=C(/Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
inchi:
InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-


name: Teprenone
cas: 6809-52-5
chebiid: CHEBI:31649
chemspiderid: 4445389
dtxsid: DTXSID6048620
formula: C23H38O1
inchikey: HUCXKZBETONXFO-AJDZVAQLSA-N
norman_susdat_id: NS00036407
pubchem_cid: 53384398
smiles: CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C
inchi:
InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+


cas: 68092-44-4
formula: C20H37N2O5.Cl.2Na
inchikey: LPIXUSNUAMQYFN-UHFFFAOYSA-N
norman_susdat_id: NS00091478
smiles: [Na+].[Na+].[Cl-].CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O
name:
Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride

inchi:
InChI=1/C20H36N2O5.ClH.2Na/c1-2-3-4-5-6-7-8-9-10-11-18-21-12-13-22(18,16-19(23)24)14-15-27-17-20(25)26;;;/h2-17H2,1H3,(H-,23,24,25,26);1H;;/q;;2*+1


name: 2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(hexylthio)propionate]
cas: 68092-48-8
formula: C41H76O8S4
inchikey: CNIAMBARISEYEW-UHFFFAOYSA-N
norman_susdat_id: NS00063342
pubchem_cid: 106573
smiles: O=C(OCC(COC(=O)CCSCCCCCC)(COC(=O)CCSCCCCCC)COC(=O)CCSCCCCCC)CCSCCCCCC
inchi:
InChI=1/C41H76O8S4/c1-5-9-13-17-25-50-29-21-37(42)46-33-41(34-47-38(43)22-30-51-26-18-14-10-6-2,35-48-39(44)23-31-52-27-19-15-11-7-3)36-49-40(45)24-32-53-28-20-16-12-8-4/h5-36H2,1-4H3


name: [4-[3-(decyloxy)-2-hydroxypropoxy]-2-hydroxyphenyl] phenyl ketone
cas: 68092-49-9
dtxsid: DTXSID90867467
formula: C26H36O5
inchikey: XYUSZWLCQQSJCS-UHFFFAOYSA-N
norman_susdat_id: NS00063343
pubchem_cid: 107105
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCC(O)COCCCCCCCCCC)C=C2O
inchi:
InChI=1/C26H36O5/c1-2-3-4-5-6-7-8-12-17-30-19-22(27)20-31-23-15-16-24(25(28)18-23)26(29)21-13-10-9-11-14-21/h9-11,13-16,18,22,27-28H,2-8,12,17,19-20H2,1H3


cas: 68092-52-4
formula: C31H25N5O7S.2Na
inchikey: DFXHTVFWBQQHQC-UHFFFAOYSA-L
norman_susdat_id: NS00091493
smiles: [Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2C)c5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S([O-])(=O)=O)c(C)c5
name:
Disodium 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H25N5O7S.2Na/c1-16-11-18(4-8-25(16)34-33-22-7-10-27(37)24(15-22)31(39)40)19-5-9-26(17(2)12-19)35-36-29-28(44(41,42)43)13-20-3-6-21(32)14-23(20)30(29)38;;/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43);;/q;2*+1/p-2


cas: 68092-58-0
norman_susdat_id: NS00113080
name:
Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)]bis-, polymer with 1,1-methylenebis[isocyanatobenzene] and oxybis[propanol]


name: N,N''-(4-methyl-m-phenylene)bis[N'-octadecadienylurea]
cas: 68092-69-3
formula: C45H76N4O2
inchikey: FFTKJZTYOCRSOA-UHFFFAOYSA-N
norman_susdat_id: NS00063570
pubchem_cid: NA
smiles: O=C(NC=CC=CCCCCCCCCCCCCCC)NC1=CC=C(C(=C1)NC(=O)NC=CC=CCCCCCCCCCCCCCC)C
inchi:
InChI=1/C45H76N4O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-46-44(50)48-42-37-36-41(3)43(40-42)49-45(51)47-39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-40H,4-29H2,1-3H3,(H2,46,48,50)(H2,47,49,51)


name: 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-
cas: 68092-70-6
chemspiderid: 2299235
dtxsid: DTXSID1071084
formula: C25H15Cl1N2O1S1
inchikey: UQJPNWRXYFYENA-UHFFFAOYSA-N
norman_susdat_id: NS00036405
pubchem_cid: 3034849
smiles: Cc1ccc2n3c(nc2c1)c1c2c(cccc2c(Sc2ccc(Cl)cc2)cc1)c3=O
inchi:
InChI=1S/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-10-12-22(30-16-8-6-15(26)7-9-16)17-3-2-4-19(23(17)18)25(29)28(21)24/h2-13H,1H3


name: N'-[3-(trimethoxysilyl)propyl]-N-[(vinylphenyl)methyl]ethylenediamine
cas: 68092-72-8
formula: C17H30N2O3Si
inchikey: GYSSGKQFRUMLDF-UHFFFAOYSA-N
norman_susdat_id: NS00091725
smiles: CO[Si](CCCNCCNCc1ccccc1C=C)(OC)OC
inchi:
InChI=1/C17H30N2O3Si/c1-5-16-9-6-7-10-17(16)15-19-13-12-18-11-8-14-23(20-2,21-3)22-4/h5-7,9-10,18-19H,1,8,11-15H2,2-4H3


name: Ethylene (3-isocyanatomethylphenyl)-carbamate
cas: 68092-73-9
dtxsid: DTXSID90987538
formula: C20H18N4O6
inchikey: XFIRHQKNSMDAHH-UHFFFAOYSA-N
norman_susdat_id: NS00063571
pubchem_cid: 106580
smiles: O=C=NCC=1C=CC=C(C1)NC(=O)OCCOC(=O)NC2=CC=CC(=C2)CN=C=O
inchi:
InChI=1/C20H18N4O6/c25-13-21-11-15-3-1-5-17(9-15)23-19(27)29-7-8-30-20(28)24-18-6-2-4-16(10-18)12-22-14-26/h1-6,9-10H,7-8,11-12H2,(H,23,27)(H,24,28)


name: N-hexadecyl-2-hydroxy-N,N-dimethylcyclohexanaminium
cas: 6810-42-0
chebiid: CHEBI:135555
formula: C24H50NO
inchikey: YPQVDFLBDPTGLB-UHFFFAOYSA-N
norman_susdat_id: NS00044375
pubchem_cid: 110926
smiles: OC1CCCCC1[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25(2,3)23-20-17-18-21-24(23)26/h23-24,26H,4-22H2,1-3H3/q+1


name: Dimethylditetradecylammonium bromide
cas: 68105-02-2
formula: C30H64N.Br
inchikey: IRMGVPILCPGYNQ-UHFFFAOYSA-M
norman_susdat_id: NS00091616
smiles: [Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C30H64N.BrH/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: 68109-58-0
dtxsid: DTXSID10889929
formula: C30H24N4O8S2
inchikey: OFKCIIAGMLXFAK-UHFFFAOYSA-L
norman_susdat_id: NS00063573
pubchem_cid: 176221
name:
Disodium 4-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H24N4O8S2.2Na/c1-17-13-19(3-11-26(17)32-31-22-5-7-23(35)8-6-22)20-4-12-27(18(2)14-20)33-34-29-28(44(40,41)42)16-21-15-24(43(37,38)39)9-10-25(21)30(29)36;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC5=CC=C(O)C=C5)C(=C4)C)C2O)S(=O)(=O)[O-]


name: N,N'-[iminobis(ethyleneiminoethylene)]distearamide diacetate
cas: 68109-66-0
formula: C44H91N5O2.2C2H4O2
inchikey: ZJGFZWOSZHRHCM-UHFFFAOYSA-N
norman_susdat_id: NS00091726
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O
inchi:
InChI=1/C44H91N5O2.2C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);2*1H3,(H,3,4)


name: 3-methyl-2-[5-(3-methyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium p-toluenesulphonate
cas: 68109-70-6
dtxsid: DTXSID6071087
formula: C21H19N2O2
inchikey: TYKOZQCHNVLQEU-UHFFFAOYSA-M
norman_susdat_id: NS00063347
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O1C=2C=CC=CC2N(C1=CC=CC=CC=3OC=4C=CC=CC4[N+]3C)C
inchi:
InChI=1/C21H19N2O2.C7H8O3S/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 68109-73-9
dtxsid: DTXSID20889930
formula: C20H19N3O9S3
inchikey: UCBBAUHQGDCGNX-UHFFFAOYSA-N
norman_susdat_id: NS00063348
pubchem_cid: NA
name:
Diammonium hydrogen 2-amino-4-[(4-amino-3-sulphonatophenyl)(4-imino-3-sulphonatocyclohexa-2,5-dien-1-ylidene)methyl]toluene-3-sulphonate

inchi:
InChI=1/C20H19N3O9S3.2H3N.H2/c1-10-2-5-13(20(19(10)23)35(30,31)32)18(11-3-6-14(21)16(8-11)33(24,25)26)12-4-7-15(22)17(9-12)34(27,28)29;;;/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);2*1H3;1H/q;;;+1/p-1

smiles:
[H+].O=S(=O)([O-])C1=CC(C=CC1=N)=C(C2=CC=C(N)C(=C2)S(=O)(=O)[O-])C3=CC=C(C(N)=C3S(=O)(=O)[O-])C.[NH4+].[NH4+]


name: Benzyl[2-hydroxy-3-[(8-methylnonyl)oxy]propyl]dimethylammonium chloride
cas: 68109-81-9
dtxsid: DTXSID20887153
formula: C22H40NO2
inchikey: JWJDTKUEHDMIDR-UHFFFAOYSA-M
norman_susdat_id: NS00064608
pubchem_cid: 107108
smiles: [Cl-].OC(COCCCCCCCC(C)C)C[N+](C)(C)CC=1C=CC=CC1
inchi:
InChI=1/C22H40NO2.ClH/c1-20(2)13-9-6-5-7-12-16-25-19-22(24)18-23(3,4)17-21-14-10-8-11-15-21;/h8,10-11,14-15,20,22,24H,5-7,9,12-13,16-19H2,1-4H3;1H/q+1;/p-1


name: 2-ethylhexyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 68109-82-0
formula: C8H19O4P.2C6H15NO3
inchikey: ICZMFJPQSVUDOI-UHFFFAOYSA-N
norman_susdat_id: NS00091509
smiles: CCCCC(CC)COP(=O)(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
inchi:
InChI=1/C8H19O4P.2C6H15NO3/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*8-4-1-7(2-5-9)3-6-10/h8H,3-7H2,1-2H3,(H2,9,10,11);2*8-10H,1-6H2


name: 2-ethylhexyl hydrogen 3,3'-[(phenylmethylene)bis(thio)]dipropionate
cas: 68109-84-2
dtxsid: DTXSID40887155
formula: C21H32O4S2
inchikey: UTNCBRGYRRXBLM-UHFFFAOYSA-N
norman_susdat_id: NS00059683
pubchem_cid: 107111
smiles: O=C(O)CCSC(SCCC(=O)OCC(CC)CCCC)C=1C=CC=CC1
inchi:
InChI=1/C21H32O4S2/c1-3-5-9-17(4-2)16-25-20(24)13-15-27-21(26-14-12-19(22)23)18-10-7-6-8-11-18/h6-8,10-11,17,21H,3-5,9,12-16H2,1-2H3,(H,22,23)


name: Dibutylbis[(1-oxodocosyl)oxy]stannane
cas: 68109-85-3
formula: C52H104O4Sn
inchikey: CHUXJFIWYUUSDJ-UHFFFAOYSA-L
norman_susdat_id: NS00059684
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCCCCCCCC)(CCCC)CCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C22H44O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2*1-3-4-2;/h2*2-21H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H104O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51(53)55-57(49-11-7-3,50-12-8-4)56-52(54)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-50H2,1-4H3


name: Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
cas: 68109-88-6
dtxsid: DTXSID40904412
formula: C28H48O8Sn
inchikey: DRZLVZYYZKVLCK-UHFFFAOYSA-L
norman_susdat_id: NS00059734
pubchem_cid: 53438566
smiles: O=C(OCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/rC28H48O8Sn/c1-5-9-11-13-15-17-23-37(24-18-16-14-12-10-6-2,35-27(31)21-19-25(29)33-7-3)36-28(32)22-20-26(30)34-8-4/h19-22H,5-18,23-24H2,1-4H3


cas: 68110-21-4
formula: C13H18N6
inchikey: ZHNBWIBPUFDSEB-UHFFFAOYSA-L
norman_susdat_id: NS00060285
pubchem_cid: 106610
smiles: [H+].Cl[Zn-](Cl)Cl.N(=NC1=CC=C(C=C1)N(CC)CC)C2=NC=NN2C
name:
Hydrogen trichlorozincate(1-), compound with N,N-diethyl-4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]aniline (1:1)

inchi:
InChI=1/C13H18N6.3ClH.Zn.H2/c1-4-19(5-2)12-8-6-11(7-9-12)16-17-13-14-10-15-18(13)3;;;;;/h6-10H,4-5H2,1-3H3;3*1H;;1H/q;;;;+2;+1/p-3/rC13H18N6.Cl3Zn.H2/c1-4-19(5-2)12-8-6-11(7-9-12)16-17-13-14-10-15-18(13)3;1-4(2)3;/h6-10H,4-5H2,1-3H3;;1H/q;-1;+1


name: Disodium hydrogen 5-acetamido-4-hydroxy-3-[(m-phosphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 68110-24-7
formula: C18H16N3O11PS2.2Na
inchikey: SLYUUEOAHFJYGP-UHFFFAOYSA-K
norman_susdat_id: NS00090264
smiles: [H+].[Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)ccc3
inchi:
InChI=1/C18H16N3O11PS2.2Na.H2/c1-9(22)19-14-8-13(34(27,28)29)5-10-6-15(35(30,31)32)17(18(23)16(10)14)21-20-11-3-2-4-12(7-11)33(24,25)26;;;/h2-8,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29)(H,30,31,32);;;1H/q;3*+1/p-4


cas: 68110-25-8
formula: C22H18N5O16PS4.4Na
inchikey: ARWCRWXRAZSPGO-UHFFFAOYSA-I
norman_susdat_id: NS00089973
name:
Tetrasodium hydrogen 4-amino-3-[(2,5-disulphonatophenyl)azo]-5-hydroxy-6-[(m-phosphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H18N5O16PS4.4Na.H2/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;;1H/q;5*+1/p-6

smiles:
[H+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(N=Nc1c(N)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2cccc(c2)P([O-])([O-])=O)c3O)S([O-])(=O)=O)c(cc4)S([O-])(=O)=O


cas: 68110-26-9
dtxsid: DTXSID7071103
formula: C27H23ClN4O6
inchikey: UECWPDGYSGHWIE-UHFFFAOYSA-N
norman_susdat_id: NS00061455
pubchem_cid: 106616
smiles: O=C(N)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC23)C(=O)NC4=CC(OC)=C(Cl)C=C4OC)=C1
name:
4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-N-(4-chloro-2,5-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)30-19-13-22(37-2)18(28)12-23(19)38-3/h4-13,33H,1-3H3,(H2,29,34)(H,30,35)


cas: 68110-27-0
dtxsid: DTXSID00904413
formula: C27H24Cl2N14O12S3
inchikey: YGMMRWWPNJTWOC-UHFFFAOYSA-K
norman_susdat_id: NS00060286
pubchem_cid: NA
name:
1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt

inchi:
InChI=1/C27H24Cl2N14O12S3.3Na/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26;;;/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC=2C=C(NC=3N=C(Cl)N=C(N3)NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)N)S(=O)(=O)[O-])C(=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C1C)CC


name: Sodium (Z)-5-methoxy-2-(octadec-9-enylamino)benzenesulphonate
cas: 68110-28-1
dtxsid: DTXSID2071104
formula: C25H43NO4S
inchikey: ZVZOAVRMXIPVPL-GMFCBQQYSA-M
norman_susdat_id: NS00059735
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC(OC)=CC=C1NCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-24-20-19-23(30-2)22-25(24)31(27,28)29;/h10-11,19-20,22,26H,3-9,12-18,21H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: Ethanol, 2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester)
cas: 68110-29-2
chemspiderid: 95960
dtxsid: DTXSID7071105
formula: C19H21N5O8S1
inchikey: MSZSVSAHVAQWOK-UHFFFAOYSA-N
norman_susdat_id: NS00036414
pubchem_cid: 106619
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(cc(s1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C19H21N5O8S/c1-12-10-15(22(6-8-31-13(2)25)7-9-32-14(3)26)4-5-16(12)20-21-19-17(23(27)28)11-18(33-19)24(29)30/h4-5,10-11H,6-9H2,1-3H3/b21-20+


cas: 68110-30-5
dtxsid: DTXSID00893611
formula: C58H38Cl2N14O26S8
inchikey: ZONNZHBNEGFXSA-UHFFFAOYSA-F
norman_susdat_id: NS00066767
pubchem_cid: NA
name:
Octasodium 2,2'-[(2,2'-disulphonato[1,1'-biphenyl]-4,4'-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C58H38Cl2N14O26S8.8Na/c59-53-65-55(61-27-7-11-31-25(19-27)21-45(105(89,90)91)47(49(31)75)73-71-39-17-15-35-37(51(39)107(95,96)97)3-1-5-41(35)101(77,78)79)69-57(67-53)63-29-9-13-33(43(23-29)103(83,84)85)34-14-10-30(24-44(34)104(86,87)88)64-58-68-54(60)66-56(70-58)62-28-8-12-32-26(20-28)22-46(106(92,93)94)48(50(32)76)74-72-40-18-16-36-38(52(40)108(98,99)100)4-2-6-42(36)102(80,81)82;;;;;;;;/h1-24,75-76H,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC5=NC(Cl)=NC(=N5)NC6=CC=C(C7=CC=C(C=C7S(=O)(=O)[O-])NC=8N=C(Cl)N=C(N8)NC=9C=CC=%10C(C9)=CC(=C(N=NC%11=CC=C%12C(C=CC=C%12S(=O)(=O)[O-])=C%11S(=O)(=O)[O-])C%10O)S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])C2S(=O)(=O)[O-]


cas: 68110-31-6
formula: C40H29Cl2N15O19S6.6Na
inchikey: WOSYRUIVNDCHHH-UHFFFAOYSA-H
norman_susdat_id: NS00089974
name:
Hexasodium 4-amino-3,6-bis[[4-[[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)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(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)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4cccc(c4)S([O-])(=O)=O)nc(Cl)n5)c(O)c6c7N)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O


cas: 68110-40-7
formula: C22H42O3
norman_susdat_id: NS00101881
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-[[(9Z)-1-oxo-9-octadecenyl]oxy]-.alpha.,.alpha.'-1,4-butanediylbis-


name: Phosphoric acid, diisooctyl ester, sodium salt
cas: 68110-41-8
chemspiderid: 95962
dtxsid: DTXSID7071107
formula: C16H35O4P1
inchikey: ROUUHLFVSHYWBM-UHFFFAOYSA-M
norman_susdat_id: NS00022670
pubchem_cid: 23675898
smiles: [Na+].CC(C)CCCCCOP(=O)([O-])OCCCCCC(C)C
inchi:
InChI=1S/C16H35O4P/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)


name: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-Pentadecaoxaheptatetracontane-1,47-diol
cas: 6812-36-8
chemspiderid: 73318
dtxsid: DTXSID20218307
formula: C32H66O17
inchikey: DHORSBRLGKJPFC-UHFFFAOYSA-N
norman_susdat_id: NS00001010
pubchem_cid: 81262
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C32H66O17/c33-1-3-35-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-29-31-49-32-30-48-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-36-4-2-34/h33-34H,1-32H2


