# cl_id

name: Tris(2-hydroxyethyl)ammonium hydrogen (E,E)-hexa-2,4-dienedioate
cas: 94199-96-9
formula: C6H15NO3.C6H6O4
inchikey: OJHWWKSEHSBTQI-BZGZIVBQSA-M
norman_susdat_id: NS00092824
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)\C=C\C=C\C(=O)[O-]
inchi:
InChI=1/C6H15NO3.C6H6O4/c8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h8-10H,1-6H2;1-4H,(H,7,8)(H,9,10)/p-1


name: Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulphonate
cas: 94199-98-1
dtxsid: DTXSID40240968
formula: C10H8Cl2N4O3S
inchikey: FWMYYRQSLCZOOL-UHFFFAOYSA-M
norman_susdat_id: NS00066577
pubchem_cid: 11971326
smiles: [Na+].O=S(=O)([O-])C1=CC(=CC=C1NC=2N=C(Cl)N=C(Cl)N2)C
inchi:
InChI=1/C10H8Cl2N4O3S.Na/c1-5-2-3-6(7(4-5)20(17,18)19)13-10-15-8(11)14-9(12)16-10;/h2-4H,1H3,(H,17,18,19)(H,13,14,15,16);/q;+1/p-1


cas: 94200-11-0
chemspiderid: 57523612
dtxsid: DTXSID50240974
formula: C18H30O2
inchikey: VJHOUDVWZXUGCF-QKQJOVNMSA-N
norman_susdat_id: NS00040234
pubchem_cid: 44148064
smiles: CCC(=O)OC1CC23CC(C1C)C(C)(C)C2CC[C@H]3C
name:
(3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl propionate

inchi:
InChI=1S/C18H30O2/c1-6-16(19)20-14-10-18-9-13(12(14)3)17(4,5)15(18)8-7-11(18)2/h11-15H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,18+/m1/s1


name: Bis[[2-(3,5-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate
cas: 94200-15-4
dtxsid: DTXSID70240976
formula: C11H15NO3
inchikey: FQWRVSJRQIAPRK-UHFFFAOYSA-N
norman_susdat_id: NS00065733
pubchem_cid: 4384084
smiles: O=C(C=1C=C(O)C=C(O)C1)C[NH2+]C(C)C.O=C(C=1C=C(O)C=C(O)C1)C[NH2+]C(C)C.O=S(=O)([O-])[O-]
inchi:
InChI=1/2C11H15NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)


cas: 94200-17-6
formula: C50H40N6O18S4
inchikey: JGYCHXDHLBXPGK-UHFFFAOYSA-J
norman_susdat_id: NS00065253
pubchem_cid: NA
name:
Tetrasodium 3,3'-[(3,3'-diethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C50H40N6O18S4.4Na/c1-3-73-39-21-29(15-17-35(39)53-55-45-41(77(67,68)69)23-31-19-33(75(61,62)63)25-37(43(31)47(45)57)51-49(59)27-11-7-5-8-12-27)30-16-18-36(40(22-30)74-4-2)54-56-46-42(78(70,71)72)24-32-20-34(76(64,65)66)26-38(44(32)48(46)58)52-50(60)28-13-9-6-10-14-28;;;;/h5-26,57-58H,3-4H2,1-2H3,(H,51,59)(H,52,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC(=CC3OCC)C4=CC=C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C=7C=CC=CC7)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])C(OCC)=C4)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=8C=CC=CC8


name: 1-ethyl-2-[4-(4-nitrophenyl)buta-1,3-dienyl]quinolinium ethanesulphonate
cas: 94200-19-8
formula: C21H20N2O2
inchikey: SXDIIWZYPMEROH-UHFFFAOYSA-M
norman_susdat_id: NS00065271
pubchem_cid: 53428127
smiles: O=[N+]([O-])C1=CC=C(C=CC=CC=2C=CC=3C=CC=CC3[N+]2CC)C=C1.O=S(=O)([O-])CC
inchi:
InChI=1/C21H19N2O2.C2H6O3S/c1-2-22-19(16-13-18-8-4-6-10-21(18)22)9-5-3-7-17-11-14-20(15-12-17)23(24)25;1-2-6(3,4)5/h3-16H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 2-(2-butoxyethoxy)ethyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine
cas: 94200-24-5
formula: C8H19O6P.xC8H17N
inchikey: DTWUYNWNLHNNME-UHFFFAOYSA-N
norman_susdat_id: NS00092576
smiles: CN(C)C1CCCCC1.OP(=O)(O)OCCOCCOCCCC
inchi:
InChI=1/C8H17N.C8H19O6P/c1-9(2)8-6-4-3-5-7-8;1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h8H,3-7H2,1-2H3;2-8H2,1H3,(H2,9,10,11)


name: Cyclohex-4-ene-1,2-dicarboxylic acid, compound with N,N-dimethylcyclohexylamine
cas: 94200-26-7
formula: C8H17N.xC8H10O4
inchikey: SDJXJPLELYVZRA-UHFFFAOYSA-N
norman_susdat_id: NS00092594
smiles: CN(C)C1CCCCC1.OC(=O)C2CC=CCC2C(=O)O
inchi:
InChI=1/C8H17N.C8H10O4/c1-9(2)8-6-4-3-5-7-8;9-7(10)5-3-1-2-4-6(5)8(11)12/h8H,3-7H2,1-2H3;1-2,5-6H,3-4H2,(H,9,10)(H,11,12)


name: Bis[p-(1-phenylethyl)phenyl] hydrogen phosphate
cas: 94200-29-0
dtxsid: DTXSID60916178
formula: C28H27O4P
inchikey: CKFVRNZEOLGLQG-UHFFFAOYSA-N
norman_susdat_id: NS00066427
pubchem_cid: 16206048
smiles: O=P(O)(OC1=CC=C(C=C1)C(C=2C=CC=CC2)C)OC3=CC=C(C=C3)C(C=4C=CC=CC4)C
inchi:
InChI=1/C28H27O4P/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)31-33(29,30)32-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22H,1-2H3,(H,29,30)


name: Bis[o-(1-phenylethyl)phenyl] hydrogen phosphate
cas: 94200-30-3
dtxsid: DTXSID00916177
formula: C28H27O4P
inchikey: OBMNOVHUTBFKEB-UHFFFAOYSA-N
norman_susdat_id: NS00065734
pubchem_cid: 16206049
smiles: O=P(O)(OC=1C=CC=CC1C(C=2C=CC=CC2)C)OC=3C=CC=CC3C(C=4C=CC=CC4)C
inchi:
InChI=1/C28H27O4P/c1-21(23-13-5-3-6-14-23)25-17-9-11-19-27(25)31-33(29,30)32-28-20-12-10-18-26(28)22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,29,30)


name: Sodium (1,4-dioxo-2-sulphonatobutane-1,4-diyl)bis(iminoethylene) distearate
cas: 94200-33-6
formula: C44H84N2O9S.Na
inchikey: QRSCFMBKMMAHGJ-UHFFFAOYSA-K
norman_susdat_id: NS00092595
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)C(CC(=O)C=C=N)C(=O)C=C=N
inchi:
InChI=1/2C18H36O2.C8H8N2O5S.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-3-1-6(11)5-8(16(13,14)15)7(12)2-4-10;/h2*2-17H2,1H3,(H,19,20);1-2,8-10H,5H2,(H,13,14,15);/q;;;+1/p-3


cas: 94200-34-7
formula: C30H26N8O11S3
inchikey: KIPPADFGCVAUBI-UHFFFAOYSA-N
norman_susdat_id: NS00092875
name:
2-[4-[[4-[[4-[(4-amino-o-tolyl)azo]benzoyl]amino]-3-sulphophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonic acid

inchi:
InChI=1/C30H26N8O11S3/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49)

smiles:
Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2S(O)(=O)=O)N=NC4C(\C)=N/N(c3cc(ccc3S(O)(=O)=O)S(O)(=O)=O)C4=O)c(C)c5


cas: 94200-35-8
formula: C30H26N8O11S3
inchikey: WTRLNQIMJZIVJI-UHFFFAOYSA-K
norman_susdat_id: NS00065265
pubchem_cid: 11971327
name:
Trisodium 2-[4-[[4-[[4-[(4-amino-2-methylphenyl)azo]benzoyl]amino]-3-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate

inchi:
InChI=1/C30H26N8O11S3.3Na/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46;;;/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2C(=O)N(N=C2C)C3=CC(=CC=C3S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1S(=O)(=O)[O-])C4=CC=C(N=NC5=CC=C(N)C=C5C)C=C4


cas: 94200-36-9
formula: C28H34N10O10S2.2Na
inchikey: UERRNNFSBIYFBY-TXOOBNKBSA-L
norman_susdat_id: NS00092601
name:
Disodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C28H34N10O10S2.2Na/c1-37(11-13-39)25-31-23(33-27(35-25)47-3)29-19-9-7-17(21(15-19)49(41,42)43)5-6-18-8-10-20(16-22(18)50(44,45)46)30-24-32-26(38(2)12-14-40)36-28(34-24)48-4;;/h5-10,15-16,39-40H,11-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(n4)N(C)CCO)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])nc(n1)N(C)CCO


name: 4-[[2-bromo-4-(vinylsulphonyl)phenyl]azo]-N-phenylaniline
cas: 94200-37-0
formula: C20H16BrN3O2S
inchikey: BRFATZOQSWKYQG-UHFFFAOYSA-N
norman_susdat_id: NS00066430
pubchem_cid: 3023954
smiles: O=S(=O)(C=C)C1=CC=C(N=NC2=CC=C(C=C2)NC=3C=CC=CC3)C(Br)=C1
inchi:
InChI=1/C20H16BrN3O2S/c1-2-27(25,26)18-12-13-20(19(21)14-18)24-23-17-10-8-16(9-11-17)22-15-6-4-3-5-7-15/h2-14,22H,1H2


name: 2-(3-Amino-2,2-dimethylpropyl)-6-methoxy-1H-benz(de)isoquinoline-1,3(2H)-dione
cas: 94200-38-1
chemspiderid: 21167091
dtxsid: DTXSID60240980
formula: C18H20N2O3
inchikey: OAXARIFQDZZRGL-UHFFFAOYSA-N
norman_susdat_id: NS00040236
pubchem_cid: 44147142
smiles: COC1=C2C=CC=C3C(=O)N(CC(C)(C)CN)C(=O)C(C=C1)=C23
inchi:
InChI=1S/C18H20N2O3/c1-18(2,9-19)10-20-16(21)12-6-4-5-11-14(23-3)8-7-13(15(11)12)17(20)22/h4-8H,9-10,19H2,1-3H3


name: [[[3-[methyl(phosphonomethyl)amino]propyl]imino]bis(methylene)]bisphosphonic acid
cas: 94200-40-5
dtxsid: DTXSID20240981
formula: C7H21N2O9P3
inchikey: VAQXWQNIWWHADW-UHFFFAOYSA-N
norman_susdat_id: NS00065735
pubchem_cid: 44146589
smiles: O=P(O)(O)CN(C)CCCN(CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C7H21N2O9P3/c1-8(5-19(10,11)12)3-2-4-9(6-20(13,14)15)7-21(16,17)18/h2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)


name: 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[2,4,6-tri-sec-butylphenoxy]propan-2-ol]
cas: 94200-41-6
formula: C57H84O6
inchikey: SLDYGTLMRKOBSY-UHFFFAOYSA-N
norman_susdat_id: NS00066431
pubchem_cid: 44147706
inchi:
InChI=1/C57H84O6/c1-15-37(7)43-29-51(39(9)17-3)55(52(30-43)40(10)18-4)62-35-47(58)33-60-49-25-21-45(22-26-49)57(13,14)46-23-27-50(28-24-46)61-34-48(59)36-63-56-53(41(11)19-5)31-44(38(8)16-2)32-54(56)42(12)20-6/h21-32,37-42,47-48,58-59H,15-20,33-36H2,1-14H3

smiles:
OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)COC=3C(=CC(=CC3C(C)CC)C(C)CC)C(C)CC)C=C2)(C)C)COC=4C(=CC(=CC4C(C)CC)C(C)CC)C(C)CC


name: 3-(Perfluorododecyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94200-42-7
chemspiderid: 17334228
dtxsid: DTXSID90881168
formula: C15H8F25O5P1
inchikey: CTRZOOKWLBIDKA-UHFFFAOYSA-N
norman_susdat_id: NS00010952
pubchem_cid: 16206052
inchi:
InChI=1S/C15H8F25O5P/c16-4(17,1-3(41)2-45-46(42,43)44)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40/h3,41H,1-2H2,(H2,42,43,44)

smiles:
C(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)C(O)CO[P](O)(O)=O


name: 3-(Perfluorotetradecyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94200-43-8
chemspiderid: 17334229
dtxsid: DTXSID50881169
formula: C17H8F29O5P1
inchikey: OPYLRJAHXRPJLM-UHFFFAOYSA-N
norman_susdat_id: NS00010953
pubchem_cid: 16206053
inchi:
InChI=1S/C17H8F29O5P/c18-4(19,1-3(47)2-51-52(48,49)50)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46/h3,47H,1-2H2,(H2,48,49,50)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)CO[P](O)(O)=O


name: 3-(Perfluorohexadecyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94200-44-9
chemspiderid: 17334230
dtxsid: DTXSID20881171
formula: C19H8F33O5P1
inchikey: AGKXMXVIKUJGIA-UHFFFAOYSA-N
norman_susdat_id: NS00010954
pubchem_cid: 16206054
inchi:
InChI=1S/C19H8F33O5P/c20-4(21,1-3(53)2-57-58(54,55)56)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52/h3,53H,1-2H2,(H2,54,55,56)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)CO[P](O)(O)=O


name: Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl phosphate
cas: 94200-45-0
formula: C11H8F17O5P.2H3N
inchikey: AQEVYDYZRHDMFO-UHFFFAOYSA-N
norman_susdat_id: NS00092596
smiles: [NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H8F17O5P.2H3N/c12-4(13,1-3(29)2-33-34(30,31)32)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;;/h3,29H,1-2H2,(H2,30,31,32);2*1H3


cas: 94200-46-1
formula: C13H8F21O5P.2H3N
inchikey: OSCAVMVVXPBMJU-UHFFFAOYSA-N
norman_susdat_id: NS00092876
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl phosphate

inchi:
InChI=1/C13H8F21O5P.2H3N/c14-4(15,1-3(35)2-39-40(36,37)38)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34;;/h3,35H,1-2H2,(H2,36,37,38);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94200-47-2
formula: C15H8F25O5P.2H3N
inchikey: OMQPAVWTJXZJQO-UHFFFAOYSA-N
norman_susdat_id: NS00093241
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl phosphate

inchi:
InChI=1/C15H8F25O5P.2H3N/c16-4(17,1-3(41)2-45-46(42,43)44)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)40;;/h3,41H,1-2H2,(H2,42,43,44);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94200-48-3
formula: C17H8F29O5P.2H3N
inchikey: ABXFOTMKHPEYQJ-UHFFFAOYSA-N
norman_susdat_id: NS00092599
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl phosphate

inchi:
InChI=1/C17H8F29O5P.2H3N/c18-4(19,1-3(47)2-51-52(48,49)50)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)46;;/h3,47H,1-2H2,(H2,48,49,50);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94200-49-4
formula: C19H8F33O5P.2H3N
inchikey: SYIONWFFQGTSLC-UHFFFAOYSA-N
norman_susdat_id: NS00092612
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluoro-2-hydroxynonadecyl phosphate

inchi:
InChI=1/C19H8F33O5P.2H3N/c20-4(21,1-3(53)2-57-58(54,55)56)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)52;;/h3,53H,1-2H2,(H2,54,55,56);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94200-50-7
formula: C14H8F23O5P.2H3N
inchikey: HIKBTDVEZMQREG-UHFFFAOYSA-N
norman_susdat_id: NS00092886
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl phosphate

inchi:
InChI=1/C14H8F23O5P.2H3N/c15-4(16,1-3(38)2-42-43(39,40)41)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37;;/h3,38H,1-2H2,(H2,39,40,41);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 94200-51-8
formula: C16H8F27O5P.2H3N
inchikey: KNOJCFMGGMASGT-UHFFFAOYSA-N
norman_susdat_id: NS00092613
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl phosphate

inchi:
InChI=1/C16H8F27O5P.2H3N/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43;;/h3,44H,1-2H2,(H2,45,46,47);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


cas: 94200-52-9
formula: C18H8F31O5P.2H3N
inchikey: NXQXVXTVWLLAHB-UHFFFAOYSA-N
norman_susdat_id: NS00092614
name:
Diammonium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-octacosafluoro-2-hydroxy-16-(trifluoromethyl)heptadecyl phosphate

inchi:
InChI=1/C18H8F31O5P.2H3N/c19-4(20,1-3(50)2-54-55(51,52)53)6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)15(40,41)13(36,37)11(32,33)9(28,29)7(24,25)5(21,17(44,45)46)18(47,48)49;;/h3,50H,1-2H2,(H2,51,52,53);2*1H3

smiles:
[NH4+].[NH4+].OC(COP(=O)([O-])[O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Diammonium 3-(perfluoro-15-methylhexadecyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94200-53-0
chemspiderid: 21167102
dtxsid: DTXSID50881184
formula: C20H8F35O5P1
inchikey: NHRSTIMJUAZKIG-GSVOUGTGSA-N
norman_susdat_id: NS00011401
pubchem_cid: NA
inchi:
InChI=1S/C20H8F35O5P.2H3N/c21-4(22,1-3(56)2-60-61(57,58)59)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55;;/h3,56H,1-2H2,(H2,57,58,59);2*1H3

smiles:
C(C(C(C(C(C(C(C(C(C(C(C(C(C(CC(COP(=O)([O-])[O-])O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)(F)F.[NH4+].[NH4+]


name: 14:2 Fluorotelomer dihydrogen phosphate
cas: 94200-54-1
chemspiderid: 10667501
dtxsid: DTXSID80240982
formula: C16H6F29O4P1
inchikey: QIZXNATWTHMMHR-UHFFFAOYSA-N
norman_susdat_id: NS00011033
pubchem_cid: 16206055
inchi:
InChI=1S/C16H6F29O4P/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2,(H2,46,47,48)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CO[P](=O)(O)O


name: 16:2 Fluorotelomer dihydrogen phosphate
cas: 94200-55-2
chemspiderid: 57495824
dtxsid: DTXSID40240983
formula: C18H6F33O4P1
inchikey: WCIJLILUIZUGMK-UHFFFAOYSA-N
norman_susdat_id: NS00011035
pubchem_cid: 44146361
inchi:
InChI=1S/C18H6F33O4P/c19-3(20,1-2-55-56(52,53)54)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)17(47,48)18(49,50)51/h1-2H2,(H2,52,53,54)

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


name: (Perfluoro-9-methyldecyl)ethyl dihydrogen phosphate
cas: 94200-56-3
chemspiderid: 17334231
dtxsid: DTXSID00240984
formula: C13H6F23O4P1
inchikey: XVPQHRLANPJWIF-UHFFFAOYSA-N
norman_susdat_id: NS00011030
pubchem_cid: 16206056
smiles: C(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)CO[P](O)(O)=O
inchi:
InChI=1S/C13H6F23O4P/c14-3(15,1-2-40-41(37,38)39)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36/h1-2H2,(H2,37,38,39)


name: ((Perfluoro-11-methyldodecyl)ethyl) dihydrogen phosphate
cas: 94200-57-4
chemspiderid: 17334232
dtxsid: DTXSID60240985
formula: C15H6F27O4P1
inchikey: RJFPCNLXFAGIGO-UHFFFAOYSA-N
norman_susdat_id: NS00011032
pubchem_cid: 16206057
inchi:
InChI=1S/C15H6F27O4P/c16-3(17,1-2-46-47(43,44)45)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)6(21,22)4(18,14(37,38)39)15(40,41)42/h1-2H2,(H2,43,44,45)

smiles:
C(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)CO[P](O)(O)=O


name: Bis(cyclohexylammonium) (R)-3,3-diethoxy-2-hydroxypropyl phosphate
cas: 94200-60-9
formula: C7H17O7P.2C6H13N
inchikey: XCBQRAPVTHQOKV-QYCVXMPOSA-N
norman_susdat_id: NS00093242
smiles: CCOC(OCC)[C@H](O)COP(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C2CCCCC2
inchi:
InChI=1/C7H17O7P.2C6H13N/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11;2*7-6-4-2-1-3-5-6/h6-8H,3-5H2,1-2H3,(H2,9,10,11);2*6H,1-5,7H2


name: N-[bis(phosphono)methyl]-N-methyl-L-aspartic acid
cas: 94200-64-3
dtxsid: DTXSID10240990
formula: C6H13NO10P2
inchikey: VMSJBJKSLZOBJT-VKHMYHEASA-N
norman_susdat_id: NS00065766
pubchem_cid: 44144937
smiles: O=C(O)CC(C(=O)O)N(C)C(P(=O)(O)O)P(=O)(O)O
inchi:
InChI=1/C6H13NO10P2/c1-7(3(5(10)11)2-4(8)9)6(18(12,13)14)19(15,16)17/h3,6H,2H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)


name: 2-tetradecyloctadecyl palmitate
cas: 94200-65-4
dtxsid: DTXSID40916171
formula: C48H96O2
inchikey: IGYMBVVZPQHQLQ-UHFFFAOYSA-N
norman_susdat_id: NS00066437
pubchem_cid: 3023956
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C48H96O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47(43-40-37-34-31-28-24-21-18-15-12-9-6-3)46-50-48(49)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3


name: 2-dodecylhexadecyl palmitate
cas: 94200-66-5
dtxsid: DTXSID80916170
formula: C44H88O2
inchikey: PKRQEAGAYQRYOD-UHFFFAOYSA-N
norman_susdat_id: NS00065283
pubchem_cid: 3023957
smiles: O=C(OCC(CCCCCCCCCCCC)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C44H88O2/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44(45)46-42-43(39-36-33-30-27-21-18-15-12-9-6-3)40-37-34-31-28-25-23-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3


name: 4,6-dihydro-9-methoxy-1,2,5-trimethyl-3H-pyrido[4,3-b]carbazolium chloride
cas: 94200-72-3
dtxsid: DTXSID10916168
formula: C19H21N2O
inchikey: NQGJYYUVGJQLQP-UHFFFAOYSA-N
norman_susdat_id: NS00065767
pubchem_cid: 57356661
smiles: [Cl-].O(C=1C=CC=2NC=3C(=CC4=C(C3C)CC[N+](=C4C)C)C2C1)C
inchi:
InChI=1/C19H20N2O.ClH/c1-11-14-7-8-21(3)12(2)15(14)10-17-16-9-13(22-4)5-6-18(16)20-19(11)17;/h5-6,9-10H,7-8H2,1-4H3;1H


name: 9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazolium iodide
cas: 94200-73-4
formula: C18H17N2O.I
inchikey: CSAGFNJWWQIQNZ-UHFFFAOYSA-N
norman_susdat_id: NS00092888
smiles: [I-].Cc1c2cc[n+](C)c(C)c2cc3c4cc(O)ccc4[nH]c13
inchi:
InChI=1/C18H16N2O.HI/c1-10-13-6-7-20(3)11(2)14(13)9-16-15-8-12(21)4-5-17(15)19-18(10)16;/h4-9,21H,1-3H3;1H


name: Sodium 2-decyltetradecyl sulphate
cas: 94200-75-6
dtxsid: DTXSID30916165
formula: C24H50O4S
inchikey: ZMDFLAWCHZSMAU-UHFFFAOYSA-M
norman_susdat_id: NS00065768
pubchem_cid: 6366486
smiles: [Na+].O=S(=O)([O-])OCC(CCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C24H50O4S.Na/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-28-29(25,26)27)21-19-17-15-12-10-8-6-4-2;/h24H,3-23H2,1-2H3,(H,25,26,27);/q;+1/p-1


name: Naphthalene-2-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 94200-76-7
formula: C10H8O3S.C4H11NO2
inchikey: MUYVPEZNWONMAN-UHFFFAOYSA-N
norman_susdat_id: NS00093243
smiles: OCCNCCO.OS(=O)(=O)c1ccc2ccccc2c1
inchi:
InChI=1/C10H8O3S.C4H11NO2/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;6-3-1-5-2-4-7/h1-7H,(H,11,12,13);5-7H,1-4H2


name: Naphthalene-2-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 94200-77-8
formula: C10H8O3S.C6H15NO3
inchikey: MRUHFBIEKCCBOS-UHFFFAOYSA-N
norman_susdat_id: NS00093246
smiles: OCCN(CCO)CCO.OS(=O)(=O)c1ccc2ccccc2c1
inchi:
InChI=1/C10H8O3S.C6H15NO3/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;8-4-1-7(2-5-9)3-6-10/h1-7H,(H,11,12,13);8-10H,1-6H2


name: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
cas: 94200-78-9
dtxsid: DTXSID30240997
formula: C17H14N2O
inchikey: OMFRORNSMNNNKG-UHFFFAOYSA-N
norman_susdat_id: NS00065769
pubchem_cid: NA
smiles: Br.OC=1C=CC=2NC=3C(=CC4=C(C=CN=C4C)C3C)C2C1
inchi:
InChI=1/C17H14N2O.BrH/c1-9-12-5-6-18-10(2)13(12)8-15-14-7-11(20)3-4-16(14)19-17(9)15;/h3-8,19-20H,1-2H3;1H


name: N-(2-(Diethylamino)-5-((octadecylamino)sulphonyl)phenyl)-1-hydroxynaphthalene-2-carboxamide
cas: 94200-79-0
chemspiderid: 2290004
dtxsid: DTXSID90240998
formula: C39H59N3O4S1
inchikey: NAGPEELNXLWGNH-UHFFFAOYSA-N
norman_susdat_id: NS00040240
pubchem_cid: 3023965
smiles: CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cc(NC(=O)c2c(O)c3ccccc3cc2)c(cc1)N(CC)CC
inchi:
InChI=1S/C39H59N3O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-40-47(45,46)33-27-29-37(42(5-2)6-3)36(31-33)41-39(44)35-28-26-32-24-21-22-25-34(32)38(35)43/h21-22,24-29,31,40,43H,4-20,23,30H2,1-3H3,(H,41,44)


name: Bis(4-amino-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamidine) sulphate
cas: 94200-80-3
dtxsid: DTXSID70916164
formula: C10H11N5O
inchikey: PGUQPWMRUMKVQG-UHFFFAOYSA-N
norman_susdat_id: NS00065309
pubchem_cid: 44146857
smiles: O=C1N(N=C(C(=N)N)C1N)C=2C=CC=CC2.O=C1N(N=C(C(=N)N)C1N)C=2C=CC=CC2.O=S(=O)(O)O
inchi:
InChI=1/2C10H11N5O.H2O4S/c2*11-7-8(9(12)13)14-15(10(7)16)6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,7H,11H2,(H3,12,13);(H2,1,2,3,4)


cas: 94200-82-5
formula: C50H40N6O18S4
inchikey: SGNVZXKWIKQXIU-UHFFFAOYSA-N
norman_susdat_id: NS00092611
name:
3,3'-[(3,3'-diethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonic] acid

inchi:
InChI=1/C50H40N6O18S4/c1-3-73-39-21-29(15-17-35(39)53-55-45-41(77(67,68)69)23-31-19-33(75(61,62)63)25-37(43(31)47(45)57)51-49(59)27-11-7-5-8-12-27)30-16-18-36(40(22-30)74-4-2)54-56-46-42(78(70,71)72)24-32-20-34(76(64,65)66)26-38(44(32)48(46)58)52-50(60)28-13-9-6-10-14-28/h5-26,57-58H,3-4H2,1-2H3,(H,51,59)(H,52,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)

smiles:
CCOc4cc(ccc4N=Nc3c(cc2cc(cc(NC(=O)c1ccccc1)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c8ccc(N=Nc7c(cc6cc(cc(NC(=O)c5ccccc5)c6c7O)S(O)(=O)=O)S(O)(=O)=O)c(OCC)c8


cas: 94200-83-6
dtxsid: DTXSID10916163
formula: C39H49ClF3N5O5S
inchikey: YAYOZHIORSMUIN-UHFFFAOYSA-N
norman_susdat_id: NS00065310
pubchem_cid: NA
smiles: O=C1N(N=C(NC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCCCCCCCCC)C1N=NC3=CC=C(O)C=C3)C=4C=CC=CC4OC(F)(F)C(F)Cl
name:
2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-4-[(4-hydroxyphenyl)azo]-3H-pyrazol-3-one

inchi:
InChI=1/C39H49ClF3N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28-54(51,52)32-26-22-29(23-27-32)44-36-35(46-45-30-20-24-31(49)25-21-30)37(50)48(47-36)33-18-15-16-19-34(33)53-39(42,43)38(40)41/h15-16,18-27,35,38,49H,2-14,17,28H2,1H3,(H,44,47)


cas: 94200-84-7
formula: C41H51N3O4
inchikey: VDEDPTHMIPKIFK-UHFFFAOYSA-N
norman_susdat_id: NS00065284
pubchem_cid: 3023968
smiles: O=C(NCCCCOC1=CC=C(C=C1C2CCCC2)C(C)(C)C)C3=CC(=NC4=CC=C(C=C4C)N(CC)CCO)C=5C=CC=CC5C3=O
name:
N-[4-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide

inchi:
InChI=1/C41H51N3O4/c1-6-44(22-23-45)31-18-19-36(28(2)25-31)43-37-27-35(39(46)33-16-10-9-15-32(33)37)40(47)42-21-11-12-24-48-38-20-17-30(41(3,4)5)26-34(38)29-13-7-8-14-29/h9-10,15-20,25-27,29,45H,6-8,11-14,21-24H2,1-5H3,(H,42,47)


name: 2,3-bis[(1-oxooctyl)oxy]propyl palmitate
cas: 94200-85-8
dtxsid: DTXSID50916162
formula: C35H66O6
inchikey: DOGUBKIAUPWEJM-UHFFFAOYSA-N
norman_susdat_id: NS00065316
pubchem_cid: 3023969
smiles: O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C35H66O6/c1-4-7-10-13-14-15-16-17-18-19-20-23-25-28-34(37)40-31-32(41-35(38)29-26-22-12-9-6-3)30-39-33(36)27-24-21-11-8-5-2/h32H,4-31H2,1-3H3


cas: 94200-90-5
formula: C30H25N7O6S
inchikey: PEZUHEXRAWTQDY-UHFFFAOYSA-M
norman_susdat_id: NS00066449
pubchem_cid: NA
name:
Sodium 6-amino-4-hydroxy-5-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-methoxy-m-tolyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C30H25N7O6S.Na/c1-17-13-26(36-37-30-24(31)12-3-18-14-23(44(40,41)42)15-27(39)29(18)30)28(43-2)16-25(17)35-34-20-6-4-19(5-7-20)32-33-21-8-10-22(38)11-9-21;/h3-16,38-39H,31H2,1-2H3,(H,40,41,42);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC(O)=C2C(N=NC3=CC(=C(N=NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4)C=C3OC)C)=C(N)C=CC2=C1


name: 2-(1-methylpentyl)-4-phenyl-1,3-dioxolane
cas: 94201-12-4
dtxsid: DTXSID30916145
formula: C15H22O2
inchikey: BINOLRXOEXUHNT-UHFFFAOYSA-N
norman_susdat_id: NS00066490
pubchem_cid: 11971330
smiles: O1CC(OC1C(C)CCCC)C=2C=CC=CC2
inchi:
InChI=1/C15H22O2/c1-3-4-8-12(2)15-16-11-14(17-15)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3


name: 1a,2,4,5,6,6a,7,7a-octahydro-1,1,6,6a-tetramethyl-1H-cyclopropa[b]naphthalen-4-yl acetate
cas: 94201-21-5
dtxsid: DTXSID50916142
formula: C17H26O2
inchikey: CBLNQIJEORRXGJ-UHFFFAOYSA-N
norman_susdat_id: NS00066298
pubchem_cid: 25076609
smiles: O=C(OC1C=C2CC3C(CC2(C)C(C)C1)C3(C)C)C
inchi:
InChI=1/C17H26O2/c1-10-6-13(19-11(2)18)7-12-8-14-15(16(14,3)4)9-17(10,12)5/h7,10,13-15H,6,8-9H2,1-5H3


name: Methyl 2-[(2-methyldecyl)amino]benzoate
cas: 94201-25-9
dtxsid: DTXSID20916139
formula: C19H31NO2
inchikey: DVEFEVWZTSDZQP-UHFFFAOYSA-N
norman_susdat_id: NS00066212
pubchem_cid: 3023984
smiles: O=C(OC)C=1C=CC=CC1NCC(C)CCCCCCCC
inchi:
InChI=1/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3


name: Methyl 2-[(2-methyldecylidene)amino]benzoate
cas: 94201-26-0
formula: C19H29NO2
inchikey: ONNNEAIFEQHXNT-UHFFFAOYSA-N
norman_susdat_id: NS00066492
pubchem_cid: 3023985
smiles: O=C(OC)C=1C=CC=CC1N=CC(C)CCCCCCCC
inchi:
InChI=1/C19H29NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-16H,4-9,12H2,1-3H3


name: Methyl 2-[(2-methylundecyl)amino]benzoate
cas: 94201-27-1
dtxsid: DTXSID60916138
formula: C20H33NO2
inchikey: VZKYFDBPSXYVGY-UHFFFAOYSA-N
norman_susdat_id: NS00066493
pubchem_cid: 3023986
smiles: O=C(OC)C=1C=CC=CC1NCC(C)CCCCCCCCC
inchi:
InChI=1/C20H33NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-15,17,21H,4-10,13,16H2,1-3H3


name: D-Glucitol 3-(bromoacetate)
cas: 94201-41-9
chemspiderid: 21167138
dtxsid: DTXSID70241004
formula: C8H15Br1O7
inchikey: OSBOGWJBMWVGFO-IXROVEORSA-N
norman_susdat_id: NS00040246
pubchem_cid: 44147332
smiles: OC[C@@H](O)[C@@H](O)[C@@H](OC(=O)CBr)[C@@H](O)CO
inchi:
InChI=1S/C8H15BrO7/c9-1-6(14)16-8(5(13)3-11)7(15)4(12)2-10/h4-5,7-8,10-13,15H,1-3H2/t4-,5+,7-,8+/m1/s1


name: D-Glucitol 1-(bromoacetate)
cas: 94201-42-0
chemspiderid: 21167139
dtxsid: DTXSID30241005
formula: C8H15Br1O7
inchikey: AAXYNEPPTOVSSR-IXROVEORSA-N
norman_susdat_id: NS00040247
pubchem_cid: 44152419
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr
inchi:
InChI=1S/C8H15BrO7/c9-1-6(13)16-3-5(12)8(15)7(14)4(11)2-10/h4-5,7-8,10-12,14-15H,1-3H2/t4-,5+,7-,8-/m1/s1


name: 3beta,17-Dihydroxypregn-5-en-20-one 17-hexanoate
cas: 94201-44-2
chemspiderid: 21167141
dtxsid: DTXSID50241007
formula: C27H42O4
inchikey: UNRVSFSDQNHLOX-YOEZIVMMSA-N
norman_susdat_id: NS00040248
pubchem_cid: 44150260
smiles: CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
inchi:
InChI=1S/C27H42O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h9,20-23,29H,5-8,10-17H2,1-4H3/t20-,21-,22+,23+,25+,26+,27+/m1/s1


name: Sodium 1-benzyl-5-phenylbarbiturate
cas: 94201-48-6
formula: C17H14N2O3.Na
inchikey: NQVAQHXQDRXALE-UHFFFAOYSA-M
norman_susdat_id: NS00093296
smiles: [Na+].[O-]C1=NC(=O)C(C(=O)N1Cc2ccccc2)c3ccccc3
inchi:
InChI=1/C17H14N2O3.Na/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12;/h1-10,14H,11H2,(H,18,20,22);/q;+1/p-1


name: Sodium 1-benzyl-5,5-diethylbarbiturate
cas: 94201-49-7
formula: C15H18N2O3.Na
inchikey: BZXGMPMMCUFEBT-UHFFFAOYSA-M
norman_susdat_id: NS00093424
smiles: [Na+].CCC1(CC)C(=O)N=C([O-])N(Cc2ccccc2)C1=O
inchi:
InChI=1/C15H18N2O3.Na/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)10-11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H,16,18,20);/q;+1/p-1


name: Sodium 1-(1-cyclohexen-1-yl)-5-ethylbarbiturate
cas: 94201-50-0
formula: C12H16N2O3.Na
inchikey: RKVKFVQTWSKNSA-UHFFFAOYSA-M
norman_susdat_id: NS00093159
smiles: [Na+].CCC1C(=O)N=C([O-])N(C2=CCCCC2)C1=O
inchi:
InChI=1/C12H16N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h6,9H,2-5,7H2,1H3,(H,13,15,17);/q;+1/p-1


name: Sodium 1-(1-cyclohexen-1-yl)-5,5-diethylbarbiturate
cas: 94201-51-1
formula: C14H20N2O3.Na
inchikey: FLWNXIIDIFHPFK-UHFFFAOYSA-M
norman_susdat_id: NS00093160
smiles: [Na+].CCC1(CC)C(=O)N=C([O-])N(C2=CCCCC2)C1=O
inchi:
InChI=1/C14H20N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h8H,3-7,9H2,1-2H3,(H,15,17,19);/q;+1/p-1


name: 1-benzyl-3-carboxylatopyridinium, compound with (carboxylatomethyl)trimethylammonium (1:1)
cas: 94201-59-9
formula: C13H11NO2.C5H11NO2
inchikey: DKLOMERVHYRAOE-UHFFFAOYSA-N
norman_susdat_id: NS00093425
smiles: C[N+](C)(C)CC(=O)[O-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1
inchi:
InChI=1/C13H11NO2.C5H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;1-6(2,3)4-5(7)8/h1-8,10H,9H2;4H2,1-3H3


name: 2,2-Bis(hydroxymethyl)butyl docosanoate
cas: 94201-60-2
chemspiderid: 2290025
dtxsid: DTXSID80241015
formula: C28H56O4
inchikey: YCUULKHNJZXLCO-UHFFFAOYSA-N
norman_susdat_id: NS00040252
pubchem_cid: 3023996
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO
inchi:
InChI=1S/C28H56O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(31)32-26-28(4-2,24-29)25-30/h29-30H,3-26H2,1-2H3


name: 2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl didocosanoate
cas: 94201-61-3
chemspiderid: 21167151
dtxsid: DTXSID40241016
formula: C50H98O5
inchikey: FZRXTKKJZHXPKW-UHFFFAOYSA-N
norman_susdat_id: NS00040253
pubchem_cid: 44148218
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C50H98O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-48(52)54-46-50(6-3,45-51)47-55-49(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h51H,4-47H2,1-3H3


name: Docosanoic acid, 1,1'-(2-hydroxy-1,3-propanediyl) ester
cas: 94201-62-4
chemspiderid: 7986372
dtxsid: DTXSID00241017
formula: C47H92O5
inchikey: GYNODFLZPXTEPN-UHFFFAOYSA-N
norman_susdat_id: NS00021402
pubchem_cid: 9810617
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3


name: Tetrahydrofurfuryl docosanoate
cas: 94201-64-6
dtxsid: DTXSID10916123
formula: C27H52O3
inchikey: SSUIWAUQJQTACD-UHFFFAOYSA-N
norman_susdat_id: NS00066239
pubchem_cid: 3023998
smiles: O=C(OCC1OCCC1)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(28)30-25-26-22-21-24-29-26/h26H,2-25H2,1H3


name: Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate
cas: 94201-74-8
dtxsid: DTXSID20916114
formula: C18H29NO3
inchikey: YLWASZIQQSARJP-UHFFFAOYSA-N
norman_susdat_id: NS00066502
pubchem_cid: 3024004
smiles: O=C(OC)C=1C=CC=CC1NCCC(C)CCCC(O)(C)C
inchi:
InChI=1/C18H29NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,14,19,21H,7-8,11-13H2,1-4H3


name: Sodium 4-[[(1-oxooctadecyl)amino]carbonyl]benzoate
cas: 94201-82-8
dtxsid: DTXSID10241023
formula: C26H41NO4
inchikey: PCYDUGMBAYGAAR-UHFFFAOYSA-M
norman_susdat_id: NS00066736
pubchem_cid: 3024007
smiles: [Na+].O=C([O-])C1=CC=C(C=C1)C(=O)NC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-25(29)22-18-20-23(21-19-22)26(30)31;/h18-21H,2-17H2,1H3,(H,30,31)(H,27,28,29);/q;+1/p-1


name: 1,3-Bis(2-(dimethylamino)phenyl)urea
cas: 94201-83-9
chemspiderid: 2290037
dtxsid: DTXSID70241024
formula: C17H22N4O1
inchikey: ABIBJGOSWOUGGV-UHFFFAOYSA-N
norman_susdat_id: NS00040255
pubchem_cid: 3024008
smiles: CN(C)c1c(NC(=O)Nc2c(cccc2)N(C)C)cccc1
inchi:
InChI=1S/C17H22N4O/c1-20(2)15-11-7-5-9-13(15)18-17(22)19-14-10-6-8-12-16(14)21(3)4/h5-12H,1-4H3,(H2,18,19,22)


name: 1-(3,4-Dichlorophenyl)-3-(2-(dimethylamino)phenyl)urea
cas: 94201-84-0
chemspiderid: 2290038
dtxsid: DTXSID30241025
formula: C15H15Cl2N3O1
inchikey: SYJFCLOLWNACOW-UHFFFAOYSA-N
norman_susdat_id: NS00040256
pubchem_cid: 3024009
smiles: CN(C)c1c(NC(=O)Nc2cc(Cl)c(Cl)cc2)cccc1
inchi:
InChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-3-5-13(14)19-15(21)18-10-7-8-11(16)12(17)9-10/h3-9H,1-2H3,(H2,18,19,21)


name: 1-(3,4-Dichlorophenyl)-3-(3-(dimethylamino)phenyl)urea
cas: 94201-85-1
chemspiderid: 1731117
dtxsid: DTXSID90241026
formula: C15H15Cl2N3O1
inchikey: UVOLZUXECMMTLQ-UHFFFAOYSA-N
norman_susdat_id: NS00040257
pubchem_cid: 2316265
smiles: CN(C)c1cccc(NC(=O)Nc2cc(Cl)c(Cl)cc2)c1
inchi:
InChI=1S/C15H15Cl2N3O/c1-20(2)12-5-3-4-10(8-12)18-15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,1-2H3,(H2,18,19,21)


name: 1-(2-chloro-p-tolyl)-3-[4-(dimethylamino)phenyl]urea
cas: 94201-86-2
dtxsid: DTXSID40916111
formula: C16H18ClN3O
inchikey: BHCYFWQGBSVKLP-UHFFFAOYSA-N
norman_susdat_id: NS00066242
pubchem_cid: 3024010
smiles: O=C(NC1=CC=C(C=C1)N(C)C)NC2=CC=C(C=C2Cl)C
inchi:
InChI=1/C16H18ClN3O/c1-11-4-9-15(14(17)10-11)19-16(21)18-12-5-7-13(8-6-12)20(2)3/h4-10H,1-3H3,(H2,18,19,21)


name: 6,7-Bis(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone
cas: 94201-89-5
chemspiderid: 34997702
dtxsid: DTXSID70241029
formula: C18H16O9S2
inchikey: SNMFEUASECRBOZ-UHFFFAOYSA-N
norman_susdat_id: NS00040260
pubchem_cid: 44148317
smiles: COC1=CC=C(C=C1)C1=COC2=CC(OS(C)(=O)=O)=C(OS(C)(=O)=O)C=C2C1=O
inchi:
InChI=1S/C18H16O9S2/c1-24-12-6-4-11(5-7-12)14-10-25-15-9-17(27-29(3,22)23)16(26-28(2,20)21)8-13(15)18(14)19/h4-10H,1-3H3


name: Phosphoric acid, 2-ethylhexyl ester, compd. with 2-ethyl-1-hexanamine
cas: 94201-90-8
formula: -
inchikey: VHXSUAYPMZIIJK-UHFFFAOYSA-N
norman_susdat_id: NS00093298
smiles: CCCCC(CC)CN.CCCCC(CC)COP(=O)(O)O
inchi:
InChI=1/C8H19N.C8H19O4P/c1-3-5-6-8(4-2)7-9;1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7,9H2,1-2H3;8H,3-7H2,1-2H3,(H2,9,10,11)


name: 5-oxo-L-proline, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
cas: 94201-92-0
formula: C7H8N4O2.C5H7NO3
inchikey: KRQKQCIGPPVIOK-HVDRVSQOSA-N
norman_susdat_id: NS00093170
smiles: CN1C(=O)N(C)c2[nH]cnc2C1=O.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C7H8N4O2.C5H7NO3/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3(6-4)5(8)9/h3H,1-2H3,(H,8,9);3H,1-2H2,(H,6,7)(H,8,9)


name: 2,6-Dibromo-4-cyanophenyl 4-chlorophenylcarbamate
cas: 94201-95-3
chemspiderid: 2290043
dtxsid: DTXSID00241032
formula: C14H7Br2Cl1N2O2
inchikey: MWGZEZROFNLUBT-UHFFFAOYSA-N
norman_susdat_id: NS00040262
pubchem_cid: 16206062
smiles: Clc1ccc(NC(=O)Oc2c(Br)cc(cc2Br)C#N)cc1
inchi:
InChI=1S/C14H7Br2ClN2O2/c15-11-5-8(7-18)6-12(16)13(11)21-14(20)19-10-3-1-9(17)2-4-10/h1-6H,(H,19,20)


name: 4,5-dihydroxy-1,3-dioctadecylimidazolidin-2-one
cas: 94201-98-6
formula: C39H78N2O3
inchikey: SCNNOKZJJRXMQA-UHFFFAOYSA-N
norman_susdat_id: NS00066311
pubchem_cid: 3024016
smiles: O=C1N(CCCCCCCCCCCCCCCCCC)C(O)C(O)N1CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C39H78N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37(42)38(43)41(39(40)44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,42-43H,3-36H2,1-2H3


name: Triammonium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94202-00-3
formula: C14H33NO6P2.3H3N
inchikey: JNLGOFDIHZYRPL-UHFFFAOYSA-M
norman_susdat_id: NS00093171
smiles: [NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.3H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);3*1H3/p-1


name: Triammonium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94202-01-4
formula: C16H37NO6P2.3H3N
inchikey: MJUYFNHMZWLUGQ-UHFFFAOYSA-M
norman_susdat_id: NS00093172
smiles: [NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.3H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);3*1H3/p-1


name: Tetraammonium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94202-02-5
formula: C5H15NO6P2.4H3N
inchikey: SEFLBYWDEHMZEU-UHFFFAOYSA-N
norman_susdat_id: NS00093299
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4H3N/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);4*1H3


name: Tetraammonium [(propylimino)bis(methylene)]diphosphonate
cas: 94202-03-6
formula: C5H15NO6P2.4H3N
inchikey: APOYRUSWICBRMY-UHFFFAOYSA-N
norman_susdat_id: NS00093300
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4H3N/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);4*1H3


name: Tetraammonium [(butylimino)bis(methylene)]bisphosphonate
cas: 94202-04-7
formula: C6H17NO6P2.4H3N
inchikey: AIEOQRSNYBZOFK-UHFFFAOYSA-N
norman_susdat_id: NS00093173
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.4H3N/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);4*1H3


name: Tetraammonium [(hexylimino)bis(methylene)]bisphosphonate
cas: 94202-05-8
formula: C8H21NO6P2.4H3N
inchikey: RYIVWJRCRPQGBL-UHFFFAOYSA-N
norman_susdat_id: NS00093427
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.4H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);4*1H3


name: Tetraammonium [(heptylimino)bis(methylene)]bisphosphonate
cas: 94202-06-9
formula: C9H23NO6P2.4H3N
inchikey: NABPSOMSTWNYCS-UHFFFAOYSA-N
norman_susdat_id: NS00093428
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.4H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);4*1H3


name: Tetraammonium [(octylimino)bis(methylene)]bisphosphonate
cas: 94202-07-0
formula: C10H25NO6P2.4H3N
inchikey: ROGYYLQRCJOSSN-UHFFFAOYSA-N
norman_susdat_id: NS00093429
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4H3N/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);4*1H3


name: Tetraammonium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94202-08-1
formula: C10H25NO6P2.4H3N
inchikey: DQBPHDYPCHNJSD-UHFFFAOYSA-N
norman_susdat_id: NS00093174
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);4*1H3


name: Tetraammonium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94202-09-2
formula: C11H27NO6P2.4H3N
inchikey: ATFJFVFPLSFJMZ-UHFFFAOYSA-N
norman_susdat_id: NS00093430
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.4H3N/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);4*1H3


name: Tetraammonium [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94202-10-5
formula: C14H33NO6P2.4H3N
inchikey: FJILWSMYUHVADB-UHFFFAOYSA-N
norman_susdat_id: NS00093135
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.4H3N/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);4*1H3


name: Tetraammonium [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94202-11-6
formula: C16H37NO6P2.4H3N
inchikey: BRQUDVYHKWUORZ-UHFFFAOYSA-N
norman_susdat_id: NS00093144
smiles: [NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.4H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);4*1H3


name: 2,4-Dichlorophenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 94202-18-3
chemspiderid: 4897024
dtxsid: DTXSID30241040
formula: C16H8Cl2N2O4S1
inchikey: UFWLHIBOVCUXFD-UHFFFAOYSA-N
norman_susdat_id: NS00040266
pubchem_cid: 6366497
smiles: Clc1cc(Cl)c(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1
inchi:
InChI=1S/C16H8Cl2N2O4S/c17-9-4-7-14(12(18)8-9)24-25(22,23)15-3-1-2-11-10(15)5-6-13(20-19)16(11)21/h1-8H


name: 5-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 94202-19-4
dtxsid: DTXSID40916095
formula: C26H16N4O9S2
inchikey: UNXLOPQTSRAANK-UHFFFAOYSA-N
norman_susdat_id: NS00066313
pubchem_cid: NA
inchi:
InChI=1/C26H14N4O9S2/c27-29-21-9-7-17-19(25(21)32)3-1-5-23(17)40(34,35)38-15-11-14(31)12-16(13-15)39-41(36,37)24-6-2-4-20-18(24)8-10-22(30-28)26(20)33/h1-13,31H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC(O)=CC(OS(=O)(=O)C=4C=CC=C5C(=O)C(=[N+]=[N-])C=CC54)=C3)C1=O


name: Dipotassium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94202-20-7
formula: C16H37NO6P2.2K
inchikey: AXTUTAZWBNITOB-UHFFFAOYSA-J
norman_susdat_id: NS00093301
smiles: [K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-4


cas: 94213-13-5
formula: C31H34N2O3S2Se
inchikey: OYHMPSMCWKGNQK-UHFFFAOYSA-N
norman_susdat_id: NS00093145
smiles: CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CCCCS([O-])(=O)=O
name:
2-[2-[[5,6-dimethyl-3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]-1-butenyl]-1-ethylnaphtho[1,2-d]thiazolium

inchi:
InChI=1/C31H34N2O3S2Se/c1-5-23(19-29-32(6-2)31-25-12-8-7-11-24(25)13-14-27(31)37-29)20-30-33(15-9-10-16-38(34,35)36)26-17-21(3)22(4)18-28(26)39-30/h7-8,11-14,17-20H,5-6,9-10,15-16H2,1-4H3


name: S-(5-((p-Chloroanilino)sulphonyl)benzothiazol-2-yl) O-cyclohexyl thiocarbonate
cas: 94213-18-0
chemspiderid: 21167172
dtxsid: DTXSID90241046
formula: C20H19Cl1N2O4S3
inchikey: WKRUUBJGVXQZJR-UHFFFAOYSA-N
norman_susdat_id: NS00040269
pubchem_cid: 56841358
smiles: Clc1ccc(NS(=O)(=O)c2ccc3sc(SC(=O)OC4CCCCC4)nc3c2)cc1
inchi:
InChI=1S/C20H19ClN2O4S3/c21-13-6-8-14(9-7-13)23-30(25,26)16-10-11-18-17(12-16)22-19(28-18)29-20(24)27-15-4-2-1-3-5-15/h6-12,15,23H,1-5H2


name: Butylethylbis(2-hydroxyethyl)ammonium ethyl sulphate
cas: 94213-19-1
dtxsid: DTXSID90916085
formula: C10H24NO2
inchikey: JDUMFALSUWSKMH-UHFFFAOYSA-M
norman_susdat_id: NS00066268
pubchem_cid: 21149815
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCO)CCCC
inchi:
InChI=1/C10H24NO2.C2H6O4S/c1-3-5-6-11(4-2,7-9-12)8-10-13;1-2-6-7(3,4)5/h12-13H,3-10H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Diethylbis(2-hydroxyethyl)ammonium ethyl sulphate
cas: 94213-20-4
dtxsid: DTXSID50241047
formula: C8H20NO2
inchikey: FYAFAKJTJQQWFJ-UHFFFAOYSA-M
norman_susdat_id: NS00065318
pubchem_cid: 3024028
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CC)CCO
inchi:
InChI=1/C8H20NO2.C2H6O4S/c1-3-9(4-2,5-7-10)6-8-11;1-2-6-7(3,4)5/h10-11H,3-8H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 94213-26-0
chemspiderid: 21167175
dtxsid: DTXSID70241049
formula: C23H24Cl2N2O4
inchikey: ZDMKHZBXBXPVCC-BDQAORGHSA-N
norman_susdat_id: NS00040271
pubchem_cid: 44151136
smiles: Cl.CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N1C(=O)C2=CC=CC=C2C1=O
name:
Ethyl (S)-alpha-((4-(bis(2-chloroethyl)amino)phenyl)methyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride

inchi:
InChI=1S/C23H24Cl2N2O4/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25/h3-10,20H,2,11-15H2,1H3/t20-/m0/s1


name: 2-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate
cas: 94213-36-2
chemspiderid: 21167176
dtxsid: DTXSID40241056
formula: C17H11N3O3
inchikey: RYDGVOWJTFTKDR-UHFFFAOYSA-N
norman_susdat_id: NS00040278
pubchem_cid: 44148840
smiles: Cc1c(Cc2c(cccc2N=C=O)N=C=O)cc(cc1)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-5-6-14(18-9-21)7-13(12)8-15-16(19-10-22)3-2-4-17(15)20-11-23/h2-7H,8H2,1H3


name: 2-((3-Isocyanato-4-methylphenyl)methyl)-m-phenylene diisocyanate
cas: 94213-37-3
chemspiderid: 21167177
dtxsid: DTXSID00241057
formula: C17H11N3O3
inchikey: PJXWOMTVMBIZAQ-UHFFFAOYSA-N
norman_susdat_id: NS00040279
pubchem_cid: 44152817
smiles: Cc1c(cc(Cc2c(cccc2N=C=O)N=C=O)cc1)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-5-6-13(8-17(12)20-11-23)7-14-15(18-9-21)3-2-4-16(14)19-10-22/h2-6,8H,7H2,1H3


name: 2-((3-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate
cas: 94213-38-4
chemspiderid: 21167178
dtxsid: DTXSID60241058
formula: C17H11N3O3
inchikey: UXSDGXOKNGHNEL-UHFFFAOYSA-N
norman_susdat_id: NS00040280
pubchem_cid: 44146362
smiles: Cc1c(Cc2c(cccc2N=C=O)N=C=O)cccc1N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-13(4-2-5-15(12)18-9-21)8-14-16(19-10-22)6-3-7-17(14)20-11-23/h2-7H,8H2,1H3


name: 4-((5-Isocyanato-2-methylphenyl)methyl)-m-phenylene diisocyanate
cas: 94213-39-5
chemspiderid: 14889855
dtxsid: DTXSID20241059
formula: C17H11N3O3
inchikey: FCLSLHSWMAUISZ-UHFFFAOYSA-N
norman_susdat_id: NS00040281
pubchem_cid: 20234546
smiles: Cc1c(Cc2c(cc(cc2)N=C=O)N=C=O)cc(cc1)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-2-4-15(18-9-21)7-14(12)6-13-3-5-16(19-10-22)8-17(13)20-11-23/h2-5,7-8H,6H2,1H3


name: 4-((3-Isocyanato-4-methylphenyl)methyl)-m-phenylene diisocyanate
cas: 94213-40-8
chemspiderid: 21167179
dtxsid: DTXSID30241060
formula: C17H11N3O3
inchikey: RFDDEHIGNVULBM-UHFFFAOYSA-N
norman_susdat_id: NS00040282
pubchem_cid: 44152149
smiles: Cc1c(cc(Cc2c(cc(cc2)N=C=O)N=C=O)cc1)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-2-3-13(7-16(12)19-10-22)6-14-4-5-15(18-9-21)8-17(14)20-11-23/h2-5,7-8H,6H2,1H3


name: 4-[(3-isocyanato-o-tolyl)methyl]-1,3-phenylene diisocyanate
cas: 94213-41-9
dtxsid: DTXSID90916080
formula: C17H11N3O3
inchikey: TXWSTJWCMLPFOD-UHFFFAOYSA-N
norman_susdat_id: NS00066459
pubchem_cid: 44154175
smiles: O=C=NC1=CC=C(C(N=C=O)=C1)CC=2C=CC=C(N=C=O)C2C
inchi:
InChI=1/C17H11N3O3/c1-12-13(3-2-4-16(12)19-10-22)7-14-5-6-15(18-9-21)8-17(14)20-11-23/h2-6,8H,7H2,1H3


name: N-(tert-Butoxycarbonyl)-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide
cas: 94213-45-3
chemspiderid: 21167183
dtxsid: DTXSID50241062
formula: C26H38N6O8S1
inchikey: CMGYAHANTSMLGN-ZCNNSNEGSA-N
norman_susdat_id: NS00040284
pubchem_cid: 44151403
smiles: CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(C=C1)[N+]([O-])=O
inchi:
InChI=1S/C26H38N6O8S/c1-26(2,3)40-25(37)29-19(11-13-41-4)22(34)28-15-21(33)30-23(35)20-6-5-12-31(20)24(36)18(27)14-16-7-9-17(10-8-16)32(38)39/h7-10,18-20H,5-6,11-15,27H2,1-4H3,(H,28,34)(H,29,37)(H,30,33,35)/t18-,19+,20-/m0/s1


name: 4'-bromo-a-(4-chlorophenyl)-a-ethyl[1,1'-biphenyl]-4-methanol
cas: 94213-46-4
dtxsid: DTXSID80916079
formula: C21H18BrClO
inchikey: LEAKGJUKXLUPJY-UHFFFAOYSA-N
norman_susdat_id: NS00065346
pubchem_cid: 44146701
smiles: ClC1=CC=C(C=C1)C(O)(C2=CC=C(C=C2)C=3C=CC(Br)=CC3)CC
inchi:
InChI=1/C21H18BrClO/c1-2-21(24,18-9-13-20(23)14-10-18)17-7-3-15(4-8-17)16-5-11-19(22)12-6-16/h3-14,24H,2H2,1H3


cas: 94213-49-7
formula: C38H28N6O16S4.4C6H15NO3
inchikey: JKERFTOGNXQUNB-UHFFFAOYSA-N
norman_susdat_id: NS00092631
name:
2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:4)

inchi:
InChI=1/C38H28N6O16S4.4C6H15NO3/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25;4*8-4-1-7(2-5-9)3-6-10/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);4*8-10H,1-6H2

smiles:
OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.COc7cc(ccc7N=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc1cc2ccc(cc2cc1)S(O)(=O)=O)c(O)c4cc3)S(O)(=O)=O)ccc5c6O)S(O)(=O)=O)S(O)(=O)=O.OCCN(CCO)CCO


name: 2-(stearoyloxy)ethylammonium acetate
cas: 94213-54-4
formula: C20H41NO2.C2H4O2
inchikey: IXEHSPWRWPJJEY-UHFFFAOYSA-N
norman_susdat_id: NS00093254
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[NH3+].CC(=O)[O-]
inchi:
InChI=1/C20H41NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21;1-2(3)4/h2-19,21H2,1H3;1H3,(H,3,4)


name: 1-(3,4-dimethoxybenzyl)-2,3-dihydro-6,7-dimethoxyisoquinolinium chloride
cas: 94213-55-5
dtxsid: DTXSID20916078
formula: C20H23NO4
inchikey: MVTPOTQDXJYTFQ-UHFFFAOYSA-N
norman_susdat_id: NS00065817
pubchem_cid: 418320
smiles: [Cl-].O(C1=CC=C(C=C1OC)CC2=C3C=C(OC)C(OC)=CC3=CC[NH2+]2)C
inchi:
InChI=1/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-7,10-12,21H,8-9H2,1-4H3;1H


name: 2-octadecylfumaric acid
cas: 94213-56-6
formula: C22H40O4
inchikey: DORSXXCBNVVKKP-FMQUCBEESA-N
norman_susdat_id: NS00065347
pubchem_cid: 6433033
smiles: O=C(O)C=C(C(=O)O)CCCCCCCCCCCCCCCCCC
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/h19H,2-18H2,1H3,(H,23,24)(H,25,26)


name: Disodium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] 2-sulphonatosuccinate
cas: 94213-61-3
formula: C26H49NO9S.2Na
inchikey: JIILLPMUDWEWBE-UHFFFAOYSA-L
norman_susdat_id: NS00093255
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C26H49NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-26(32)23(22-25(30)31)37(33,34)35;;/h23,28H,2-22H2,1H3,(H,30,31)(H,33,34,35);;/q;2*+1/p-2


name: Methyltris[2-octadecanoylethyl]ammonium hydrogen sulphate
cas: 94213-62-4
dtxsid: DTXSID90241066
formula: C61H120NO3
inchikey: HRAIMTSEQYIOFN-UHFFFAOYSA-L
norman_susdat_id: NS00065363
pubchem_cid: NA
smiles: O=C(CCCCCCCCCCCCCCCCC)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])[O-]
inchi:
InChI=1/C61H120NO3.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h5-58H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Diammonium 1-octadecyl 2-sulphonatosuccinate
cas: 94213-63-5
formula: C22H42O7S.2H3N
inchikey: YUMOQEPYKZQZCQ-UHFFFAOYSA-N
norman_susdat_id: NS00093256
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*1H3


name: 1-octadecyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)
cas: 94213-64-6
formula: C22H42O7S.2C4H11NO2
inchikey: FTXRQQSUASHMKC-UHFFFAOYSA-N
norman_susdat_id: NS00092632
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C22H42O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*6-3-1-5-2-4-7/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*5-7H,1-4H2


name: 1-octadecyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)
cas: 94213-65-7
formula: C22H42O7S.2C6H15NO3
inchikey: VAHMCOGXUFFWOG-UHFFFAOYSA-N
norman_susdat_id: NS00092913
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
inchi:
InChI=1/C22H42O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;2*8-4-1-7(2-5-9)3-6-10/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*8-10H,1-6H2


name: DISODIUM OLEYL SULFO- SUCCINATE
cas: 94213-67-9
chemspiderid: 10144719
formula: C22H40O7S1
inchikey: TZPJSMIHSIHKEL-MDZDMXLPSA-N
norman_susdat_id: NS00013628
pubchem_cid: 11971338
smiles: [Na+].[Na+].CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C22H40O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2/b10-9+;;


name: Sodium 6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylate
cas: 94213-68-0
formula: C16H9NO6.Na
inchikey: IFCATRHBIOPSEC-UHFFFAOYSA-M
norman_susdat_id: NS00092644
smiles: [Na+].[O-]C(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+](=O)[O-]
inchi:
InChI=1/C16H9NO6.Na/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21;/h1-6H,7H2,(H,18,19);/q;+1/p-1


cas: 942142-51-0
dtxsid: DTXSID70583133
formula: C26H41ClN4O5
inchikey: NXWASIVXQMMPLM-ZXMXYHOLSA-N
norman_susdat_id: NS00072155
pubchem_cid: 16126898
smiles: CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1
name:
Methyl (2-{(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate

inchi:
InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1


name: Nonadecafluorodecanoic anhydride
cas: 942199-24-8
dtxsid: DTXSID00663114
formula: C20F38O3
inchikey: ZMOVGRSTRJMBKT-UHFFFAOYSA-N
norman_susdat_id: NS00108833
inchi:
InChI=1S/C20F38O3/c21-3(22,5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)55)1(59)61-2(60)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(56,57)58

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(=O)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)(F)C(F)(F)F


name: Tripotassium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94230-65-6
formula: C16H37NO6P2.3K
inchikey: BPEPYZVMVDXVEE-UHFFFAOYSA-J
norman_susdat_id: NS00092914
smiles: [K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-4


name: Tetrapotassium [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94230-66-7
formula: C16H37NO6P2.4K
inchikey: FPACRNCPUYCVEV-UHFFFAOYSA-J
norman_susdat_id: NS00092652
smiles: [K+].[K+].[K+].[K+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.4K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94230-67-8
formula: C14H33NO6P2.2K
inchikey: YDKVFTAAWODGHT-UHFFFAOYSA-J
norman_susdat_id: NS00092915
smiles: [K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.2K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;/q;2*+1/p-4


name: Tripotassium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94230-68-9
formula: C14H33NO6P2.3K
inchikey: AAZKHZZNNTUSSY-UHFFFAOYSA-J
norman_susdat_id: NS00092653
smiles: [K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-4


name: Dipotassium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94230-69-0
formula: C11H27NO6P2.2K
inchikey: XDNCIMPVIMWTRR-UHFFFAOYSA-J
norman_susdat_id: NS00092916
smiles: [K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.2K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-4


name: Tripotassium hydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94230-70-3
formula: C11H27NO6P2.3K
inchikey: CXTMUCJGBSQMKI-UHFFFAOYSA-J
norman_susdat_id: NS00092645
smiles: [K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.3K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;/q;3*+1/p-4


name: Tetrapotassium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94230-71-4
formula: C11H27NO6P2.4K
inchikey: CWQMSYRHVCNJCQ-UHFFFAOYSA-J
norman_susdat_id: NS00092654
smiles: [K+].[K+].[K+].[K+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.4K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [(octylimino)bis(methylene)]bisphosphonate
cas: 94230-72-5
formula: C10H25NO6P2.2K
inchikey: ZQXIVPJLVQBBGA-UHFFFAOYSA-J
norman_susdat_id: NS00092917
smiles: [K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.2K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4


name: Tripotassium hydrogen [(octylimino)bis(methylene)]bisphosphonate
cas: 94230-73-6
formula: C10H25NO6P2.3K
inchikey: DMCLMTPPYREGCX-UHFFFAOYSA-J
norman_susdat_id: NS00092655
smiles: [K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4


name: Tetrapotassium [(octylimino)bis(methylene)]bisphosphonate
cas: 94230-74-7
formula: C10H25NO6P2.4K
inchikey: PUONZEIQHJRVRU-UHFFFAOYSA-J
norman_susdat_id: NS00093257
smiles: [K+].[K+].[K+].[K+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4K/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94230-75-8
formula: C10H25NO6P2.2K
inchikey: RXDKVHCGCROPOI-UHFFFAOYSA-J
norman_susdat_id: NS00092646
smiles: [K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.2K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;/q;2*+1/p-4


name: Tripotassium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94230-76-9
formula: C10H25NO6P2.3K
inchikey: LNTAKMWTPRKCRO-UHFFFAOYSA-J
norman_susdat_id: NS00093258
smiles: [K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4


name: Tetrapotassium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94230-77-0
formula: C10H25NO6P2.4K
inchikey: AZVYGFDDUKVOPJ-UHFFFAOYSA-J
norman_susdat_id: NS00092656
smiles: [K+].[K+].[K+].[K+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4K/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94230-78-1
formula: C9H23NO6P2.2K
inchikey: CRZDWZZMNQMLQR-UHFFFAOYSA-J
norman_susdat_id: NS00093259
smiles: [K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.2K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-4


name: Tripotassium hydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94230-79-2
formula: C9H23NO6P2.3K
inchikey: UREIUGWBHAULJK-UHFFFAOYSA-J
norman_susdat_id: NS00093260
smiles: [K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.3K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-4


name: (±)-N-[N-(2-bromo-4-methyl-1-oxopentyl)glycyl]-glycine
cas: 94230-81-6
formula: C10H17BrN2O4
inchikey: ZBXSVQJKCGZRKV-UHFFFAOYSA-N
norman_susdat_id: NS00065373
pubchem_cid: 98215
smiles: O=C(O)CNC(=O)CNC(=O)C(Br)CC(C)C
inchi:
InChI=1/C10H17BrN2O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)


name: N-(2-bromo-4-methyl-1-oxopentyl)-DL-leucine
cas: 94230-82-7
dtxsid: DTXSID70916048
formula: C12H22BrNO3
inchikey: SKIOHEOZWHHOCD-AXDSSHIGSA-N
norman_susdat_id: NS00065401
pubchem_cid: 71430933
smiles: O=C(O)C(NC(=O)C(Br)CC(C)C)CC(C)C
inchi:
InChI=1/C12H22BrNO3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6H2,1-4H3,(H,14,15)(H,16,17)


name: 1,3-bis[2-(phosphonooxy)ethoxy]propan-2-ol, zinc salt
cas: 94230-86-1
formula: C7H18O11P2
inchikey: DHLKMIKKRKYZKI-UHFFFAOYSA-N
norman_susdat_id: NS00066480
pubchem_cid: 44152481
smiles: [Zn+2].O=P(O)(O)OCCOCC(O)COCCOP(=O)(O)O
inchi:
InChI=1/C7H18O11P2.Zn/c8-7(5-15-1-3-17-19(9,10)11)6-16-2-4-18-20(12,13)14;/h7-8H,1-6H2,(H2,9,10,11)(H2,12,13,14);/q;+2


name: N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzamide
cas: 94230-88-3
chemspiderid: 319058
dtxsid: DTXSID00241092
formula: C16H21N1O2
inchikey: ZGTNFZJYRNJFIV-UHFFFAOYSA-N
norman_susdat_id: NS00040288
pubchem_cid: 359385
smiles: COc1ccc(cc1)C(=O)NCCC1=CCCCC1
inchi:
InChI=1S/C16H21NO2/c1-19-15-9-7-14(8-10-15)16(18)17-12-11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18)


name: 2-(cyclobutylcarbonyl)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
cas: 94230-89-4
dtxsid: DTXSID90916045
formula: C22H29NO2
inchikey: OOXMFCUTPBVMQD-UHFFFAOYSA-N
norman_susdat_id: NS00066481
pubchem_cid: 3024050
smiles: O=C(N1CCC2=C(CCCC2)C1CC3=CC=C(OC)C=C3)C4CCC4
inchi:
InChI=1/C22H29NO2/c1-25-19-11-9-16(10-12-19)15-21-20-8-3-2-5-17(20)13-14-23(21)22(24)18-6-4-7-18/h9-12,18,21H,2-8,13-15H2,1H3


name: 2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenediazonium chloride
cas: 94230-90-7
formula: C18H18N5O4.Cl
inchikey: GIPOBELFRXAAAO-UHFFFAOYSA-N
norman_susdat_id: NS00093279
smiles: [Cl-].COc2cc([N+]#N)c(cc2N=NC(C(C)=O)C(=O)Nc1ccccc1)OC
inchi:
InChI=1/C18H17N5O4.ClH/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;1H


name: Tetraphenylphosphonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate
cas: 94230-98-5
formula: C24H20P.C12H6Cl3O2
inchikey: IVIDGYXOIXRPCN-UHFFFAOYSA-M
norman_susdat_id: NS00092667
smiles: [O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl.c3ccc(cc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6
inchi:
InChI=1/C24H20P.C12H7Cl3O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-20H;1-6,16H/q+1;/p-1


name: Methyltriphenylphosphonium phenolate
cas: 94231-04-6
formula: C19H18P.C6H5O
inchikey: MBPWAJRIRJQKIZ-UHFFFAOYSA-M
norman_susdat_id: NS00093280
smiles: C[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4
inchi:
InChI=1/C19H18P.C6H6O/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;7-6-4-2-1-3-5-6/h2-16H,1H3;1-5,7H/q+1;/p-1


name: Ethyltriphenylphosphonium phenolate
cas: 94231-05-7
formula: C20H20P.C6H5O
inchikey: IGIVLQRACADPFJ-UHFFFAOYSA-M
norman_susdat_id: NS00092686
smiles: CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4
inchi:
InChI=1/C20H20P.C6H6O/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;7-6-4-2-1-3-5-6/h3-17H,2H2,1H3;1-5,7H/q+1;/p-1


name: Triphenylpropylphosphonium phenolate
cas: 94231-07-9
formula: C21H22P.C6H5O
inchikey: IKIHQYHAXWEILE-UHFFFAOYSA-M
norman_susdat_id: NS00092668
smiles: CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[O-]c4ccccc4
inchi:
InChI=1/C21H22P.C6H6O/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;7-6-4-2-1-3-5-6/h3-17H,2,18H2,1H3;1-5,7H/q+1;/p-1


name: Dodecan-1,12-diylbis(benzyldimethylammonium) dichloride
cas: 94231-25-1
dtxsid: DTXSID80241116
formula: C30H50N2
inchikey: YPBOGOKUBITHPK-UHFFFAOYSA-L
norman_susdat_id: NS00065407
pubchem_cid: 44150655
smiles: [Cl-].[Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C30H50N2.2ClH/c1-31(2,27-29-21-15-13-16-22-29)25-19-11-9-7-5-6-8-10-12-20-26-32(3,4)28-30-23-17-14-18-24-30;;/h13-18,21-24H,5-12,19-20,25-28H2,1-4H3;2*1H/q+2;;/p-2


name: [dodecane-1,12-diylbis(ethyldimethylammonium)] dibromide
cas: 94231-26-2
formula: C20H46N2.2Br
inchikey: ZLEDIFJIFPEVLV-UHFFFAOYSA-L
norman_susdat_id: NS00092965
smiles: [Br-].[Br-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC
inchi:
InChI=1/C20H46N2.2BrH/c1-7-21(3,4)19-17-15-13-11-9-10-12-14-16-18-20-22(5,6)8-2;;/h7-20H2,1-6H3;2*1H/q+2;;/p-2


name: [dodecane-1,12-diylbis(ethyldimethylammonium)] dichloride
cas: 94231-27-3
dtxsid: DTXSID00241118
formula: C20H46N2
inchikey: JXZBZYXYIVZUID-UHFFFAOYSA-L
norman_susdat_id: NS00065377
pubchem_cid: 44147104
smiles: [Cl-].[Cl-].CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC
inchi:
InChI=1/C20H46N2.2ClH/c1-7-21(3,4)19-17-15-13-11-9-10-12-14-16-18-20-22(5,6)8-2;;/h7-20H2,1-6H3;2*1H/q+2;;/p-2


name: [dodecane-1,12-diylbis(dimethyloctylammonium)] dibromide
cas: 94231-28-4
dtxsid: DTXSID60241119
formula: C32H70N2
inchikey: MFGOUNNVWDVPJG-UHFFFAOYSA-L
norman_susdat_id: NS00065392
pubchem_cid: 44150848
smiles: [Br-].[Br-].CCCCCCCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCCCCCCC
inchi:
InChI=1/C32H70N2.2BrH/c1-7-9-11-13-21-25-29-33(3,4)31-27-23-19-17-15-16-18-20-24-28-32-34(5,6)30-26-22-14-12-10-8-2;;/h7-32H2,1-6H3;2*1H/q+2;;/p-2


name: Sodium 1-cyclohexyl-5,5-diethylbarbiturate
cas: 94231-29-5
formula: C14H22N2O3.Na
inchikey: YASPKSANBFFQBP-UHFFFAOYSA-M
norman_susdat_id: NS00093290
smiles: [Na+].CCC1(CC)C(=O)N=C([O-])N(C2CCCCC2)C1=O
inchi:
InChI=1/C14H22N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h10H,3-9H2,1-2H3,(H,15,17,19);/q;+1/p-1


name: L-histidine S-malate
cas: 94231-36-4
formula: C6H9N3O2.C4H6O5
inchikey: MTWBOTIEQZVKCT-KNIFDHDWSA-N
norman_susdat_id: NS00092690
smiles: N[C@@H](Cc1c[nH]cn1)C(=O)O.O[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C6H9N3O2.C4H6O5/c7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2,5H,1H2,(H,6,7)(H,8,9)


name: 1,18-Octadecanediyl bismethacrylate
cas: 94231-41-1
chemspiderid: 21167218
dtxsid: DTXSID90241122
formula: C26H46O4
inchikey: FDSSBYGJHFPUAI-UHFFFAOYSA-N
norman_susdat_id: NS00040289
pubchem_cid: 44146348
smiles: CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCOC(=O)C(C)=C
inchi:
InChI=1S/C26H46O4/c1-23(2)25(27)29-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-30-26(28)24(3)4/h1,3,5-22H2,2,4H3


cas: 94231-56-8
formula: C30H9F54O4P.C4H11NO2
inchikey: PJCSMHUFJKMRFC-UHFFFAOYSA-N
norman_susdat_id: NS00093432
name:
Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl) phosphate

inchi:
InChI=1/C30H9F54O4P.C4H11NO2/c31-5(32,9(37,38)13(45,46)17(53,54)21(61,62)25(69,70)23(65,66)19(57,58)15(49,50)11(41,42)7(35,27(73,74)75)28(76,77)78)1-3-87-89(85,86)88-4-2-6(33,34)10(39,40)14(47,48)18(55,56)22(63,64)26(71,72)24(67,68)20(59,60)16(51,52)12(43,44)8(36,29(79,80)81)30(82,83)84;6-3-1-5-2-4-7/h1-4H2,(H,85,86);5-7H,1-4H2

smiles:
OCC[NH2+]CCO.[O-]P(=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)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(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: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl acrylate
cas: 94231-57-9
chemspiderid: 2290074
dtxsid: DTXSID10241124
formula: C14H5F21O2
inchikey: FPBNSCOPAZCJAV-UHFFFAOYSA-N
norman_susdat_id: NS00019352
pubchem_cid: 3024058
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)COC(=O)C=C
inchi:
InChI=1S/C14H5F21O2/c1-2-4(36)37-3-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h2H,1,3H2


name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-11-(vinyloxy)undecane
cas: 94231-58-0
chemspiderid: 2290075
dtxsid: DTXSID70241125
formula: C13H6F20O1
inchikey: UBJGZTCVIFHNPM-UHFFFAOYSA-N
norman_susdat_id: NS00011207
pubchem_cid: 3024059
smiles: C(OC=C)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
inchi:
InChI=1S/C13H6F20O/c1-2-34-3-5(16,17)7(20,21)9(24,25)11(28,29)13(32,33)12(30,31)10(26,27)8(22,23)6(18,19)4(14)15/h2,4H,1,3H2


name: (Perfluoro-15-methylhexadecyl)ethyl dihydrogen phosphate
cas: 94231-59-1
chemspiderid: 17334248
dtxsid: DTXSID30241126
formula: C19H6F35O4P1
inchikey: VHQPVCVRRDZXSW-UHFFFAOYSA-N
norman_susdat_id: NS00011036
pubchem_cid: 16206073
inchi:
InChI=1S/C19H6F35O4P/c20-3(21,1-2-58-59(55,56)57)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)16(45,46)14(41,42)12(37,38)10(33,34)8(29,30)6(25,26)4(22,18(49,50)51)19(52,53)54/h1-2H2,(H2,55,56,57)

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CO[P](O)(O)=O


name: Potassium 3-(1H-benzimidazol-2-ylthio)propanesulphonate
cas: 94231-61-5
dtxsid: DTXSID50241128
formula: C10H12N2O3S2
inchikey: UYHSNMZVVUTYKU-UHFFFAOYSA-M
norman_susdat_id: NS00066511
pubchem_cid: 3024063
smiles: [K+].O=S(=O)([O-])CCCSC1=NC=2C=CC=CC2N1
inchi:
InChI=1/C10H12N2O3S2.K/c13-17(14,15)7-3-6-16-10-11-8-4-1-2-5-9(8)12-10;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14,15);/q;+1/p-1


name: 2-hexadecylicosyl laurate
cas: 94231-65-9
dtxsid: DTXSID40916015
formula: C48H96O2
inchikey: UWHSOCSFHCLZIW-UHFFFAOYSA-N
norman_susdat_id: NS00066328
pubchem_cid: 3024068
smiles: O=C(OCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C48H96O2/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-44-47(46-50-48(49)45-42-39-36-31-18-15-12-9-6-3)43-40-37-34-32-29-27-24-22-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3


name: 2-tetradecyloctadecyl laurate
cas: 94231-66-0
dtxsid: DTXSID80916014
formula: C44H88O2
inchikey: UZKUERLUANTLEX-UHFFFAOYSA-N
norman_susdat_id: NS00066271
pubchem_cid: 3024069
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C44H88O2/c1-4-7-10-13-16-19-21-23-24-26-29-31-34-37-40-43(39-36-33-30-28-25-22-20-17-14-11-8-5-2)42-46-44(45)41-38-35-32-27-18-15-12-9-6-3/h43H,4-42H2,1-3H3


name: 6-(benzoylmethylamino)hexanoic acid
cas: 94231-67-1
dtxsid: DTXSID20916013
formula: C14H19NO3
inchikey: CXANSQSOXRVOKL-UHFFFAOYSA-N
norman_susdat_id: NS00066513
pubchem_cid: 21149819
smiles: O=C(O)CCCCCN(C(=O)C=1C=CC=CC1)C
inchi:
InChI=1/C14H19NO3/c1-15(11-7-3-6-10-13(16)17)14(18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)


name: N-[[1-(2-cyclohexylideneethyl)-2-pyrrolidinyl]methyl]acetamide
cas: 94231-73-9
dtxsid: DTXSID30916009
formula: C15H26N2O
inchikey: UUHGJCCGHYMHLO-UHFFFAOYSA-N
norman_susdat_id: NS00066515
pubchem_cid: 3024074
smiles: O=C(NCC1N(CC=C2CCCCC2)CCC1)C
inchi:
InChI=1/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18)


cas: 94231-76-2
formula: C34H23ClN8O12S4
inchikey: SGBQWDBCOGFBFC-UHFFFAOYSA-J
norman_susdat_id: NS00066274
pubchem_cid: NA
name:
Tetrasodium 2-[[8-[[4-chloro-6-[[4-(6-methyl-5-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C34H23ClN8O12S4.4Na/c1-15-10-24-22(14-25(15)58(50,51)52)37-30(56-24)16-6-8-18(9-7-16)36-33-39-32(35)40-34(41-33)38-23-13-19(57(47,48)49)11-17-12-26(59(53,54)55)28(29(44)27(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=C3C(C=C(C=C3NC=4N=C(Cl)N=C(N4)NC=5C=CC(=CC5)C6=NC7=CC(=C(C=C7S6)C)S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-]


name: Methyl [7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate
cas: 94231-83-1
formula: C18H15N4O6
inchikey: RWODFOSCGOFTKK-UHFFFAOYSA-N
norman_susdat_id: NS00066516
pubchem_cid: 135570937
smiles: O=C(OC)NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(=CC=C3O)[N+](=O)[O-])C21
inchi:
InChI=1/C18H14N4O6/c1-28-18(25)19-12-4-2-3-10-5-7-15(24)17(16(10)12)21-20-13-9-11(22(26)27)6-8-14(13)23/h2-9,23-24H,1H3,(H,19,25)


name: Methyl [7-hydroxy-8-[(2-hydroxy-4-nitrophenyl)azo]-1-naphthyl]-carbamate
cas: 94231-84-2
formula: C18H15N4O6
inchikey: SVYDTVMSLRWKLE-UHFFFAOYSA-N
norman_susdat_id: NS00066333
pubchem_cid: 135570938
smiles: O=C(OC)NC=1C=CC=C2C=CC(O)=C(N=NC3=CC=C(C=C3O)[N+](=O)[O-])C21
inchi:
InChI=1/C18H14N4O6/c1-28-18(25)19-13-4-2-3-10-5-8-14(23)17(16(10)13)21-20-12-7-6-11(22(26)27)9-15(12)24/h2-9,23-24H,1H3,(H,19,25)


name: Methyl [7-hydroxy-8-[(2-hydroxy-3,5-dinitrophenyl)azo]-1-naphthyl]carbamate
cas: 94231-85-3
formula: C18H15N5O8
inchikey: LYBKPNSXXPPSEH-UHFFFAOYSA-N
norman_susdat_id: NS00066334
pubchem_cid: 135570939
smiles: O=C(OC)NC=1C=CC=C2C=CC(O)=C(N=NC=3C=C(C=C(C3O)[N+](=O)[O-])[N+](=O)[O-])C21
inchi:
InChI=1/C18H13N5O8/c1-31-18(26)19-11-4-2-3-9-5-6-14(24)16(15(9)11)21-20-12-7-10(22(27)28)8-13(17(12)25)23(29)30/h2-8,24-25H,1H3,(H,19,26)


name: N-D-Gluconoyl L-methionate
cas: 94231-87-5
chemspiderid: 57523613
dtxsid: DTXSID80241136
formula: C11H21N1O8S1
inchikey: IJIGIXPOPAELGH-JTPBWFLFSA-M
norman_susdat_id: NS00040294
pubchem_cid: 44149992
smiles: CSCC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C([O-])=O
inchi:
InChI=1S/C11H21NO8S/c1-21-3-2-5(11(19)20)12-10(18)9(17)8(16)7(15)6(14)4-13/h5-9,13-17H,2-4H2,1H3,(H,12,18)(H,19,20)/t5-,6+,7+,8-,9+/m0/s1


name: alpha-(D-Gluconamido)cyclohexanepropionic acid
cas: 94231-88-6
chemspiderid: 57523614
dtxsid: DTXSID40241137
formula: C15H27N1O8
inchikey: XNIITDQRLMHJRL-FOMPKITHSA-N
norman_susdat_id: NS00040295
pubchem_cid: 44145012
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NC(CC1CCCCC1)C(O)=O
inchi:
InChI=1S/C15H27NO8/c17-7-10(18)11(19)12(20)13(21)14(22)16-9(15(23)24)6-8-4-2-1-3-5-8/h8-13,17-21H,1-7H2,(H,16,22)(H,23,24)/t9-,10+,11+,12-,13+/m0/s1


name: N-D-Gluconoyl-beta-alanine
cas: 94231-90-0
chemspiderid: 31149885
dtxsid: DTXSID60241139
formula: C9H17N1O8
inchikey: IHYVWNRKXGTLCO-CCXZUQQUSA-N
norman_susdat_id: NS00040296
pubchem_cid: 44151704
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCC(O)=O
inchi:
InChI=1S/C9H17NO8/c11-3-4(12)6(15)7(16)8(17)9(18)10-2-1-5(13)14/h4,6-8,11-12,15-17H,1-3H2,(H,10,18)(H,13,14)/t4-,6-,7+,8-/m1/s1


name: N-D-Gluconoyl-L-alanine
cas: 94231-91-1
chemspiderid: 31149884
dtxsid: DTXSID70241140
formula: C9H17N1O8
inchikey: NBXXOOCDYRGSOJ-CXNFULCWSA-N
norman_susdat_id: NS00040297
pubchem_cid: 44150383
smiles: C[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
inchi:
InChI=1S/C9H17NO8/c1-3(9(17)18)10-8(16)7(15)6(14)5(13)4(12)2-11/h3-7,11-15H,2H2,1H3,(H,10,16)(H,17,18)/t3-,4+,5?,6-,7+/m0/s1


name: N,N'-Di-D-gluconoyl-L-cystine
cas: 94231-92-2
chemspiderid: 19489822
dtxsid: DTXSID30241141
formula: C18H32N2O16S2
inchikey: OQQHNGGTYYWCOD-WXSNFLDLSA-N
norman_susdat_id: NS00040298
pubchem_cid: 44153002
inchi:
InChI=1S/C18H32N2O16S2/c21-1-7(23)9(25)11(27)13(29)15(31)19-5(17(33)34)3-37-38-4-6(18(35)36)20-16(32)14(30)12(28)10(26)8(24)2-22/h5-14,21-30H,1-4H2,(H,19,31)(H,20,32)(H,33,34)(H,35,36)/t5-,6-,7+,8+,9+,10+,11-,12-,13+,14+/m0/s1

smiles:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O


name: 4,4'-Dithiobis(salicylic) acid
cas: 94231-96-6
chemspiderid: 21167237
dtxsid: DTXSID10241144
formula: C14H10O6S2
inchikey: RYKHFZFTJQLJOZ-UHFFFAOYSA-N
norman_susdat_id: NS00040301
pubchem_cid: 54292377
smiles: OC(=O)C1=C(O)C=C(SSC2=CC(O)=C(C=C2)C(O)=O)C=C1
inchi:
InChI=1S/C14H10O6S2/c15-11-5-7(1-3-9(11)13(17)18)21-22-8-2-4-10(14(19)20)12(16)6-8/h1-6,15-16H,(H,17,18)(H,19,20)


name: 5-ethyl-5-phenylbarbituric acid, compound with 4,5-dihydro-2-methyl-1H-imidazole (1:1)
cas: 94231-97-7
formula: C12H12N2O3.C4H8N2
inchikey: FJTUSQWYZJVOJQ-UHFFFAOYSA-N
norman_susdat_id: NS00093147
smiles: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC3=NCCN3
inchi:
InChI=1/C12H12N2O3.C4H8N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-4-5-2-3-6-4/h3-7H,2H2,1H3,(H2,13,14,15,16,17);2-3H2,1H3,(H,5,6)


name: 2-[(4-aminophenyl)amino]-5-nitrobenzenesulphonic acid hydrochloride
cas: 94232-01-6
formula: C12H11N3O5S.xClH
inchikey: ODQRSGUUAKFPFM-UHFFFAOYSA-N
norman_susdat_id: NS00093187
smiles: Cl.Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1/C12H11N3O5S.ClH/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);1H


name: N-(5-Methoxy-2-methyl-4-((phenylsulphonyl)amino)phenyl)benzamide
cas: 94232-02-7
chemspiderid: 2290093
dtxsid: DTXSID90241147
formula: C21H20N2O4S1
inchikey: OYMWMKWXGMRPEA-UHFFFAOYSA-N
norman_susdat_id: NS00040302
pubchem_cid: 3024083
smiles: COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1ccccc1
inchi:
InChI=1S/C21H20N2O4S/c1-15-13-19(23-28(25,26)17-11-7-4-8-12-17)20(27-2)14-18(15)22-21(24)16-9-5-3-6-10-16/h3-14,23H,1-2H3,(H,22,24)


name: N,N'-Ethylenebis(3-amino-4-methoxybenzenesulphonamide)
cas: 94232-03-8
chemspiderid: 21167240
dtxsid: DTXSID50241148
formula: C16H22N4O6S2
inchikey: SHIILERBXRETDI-UHFFFAOYSA-N
norman_susdat_id: NS00040303
pubchem_cid: 44149498
smiles: COc1c(N)cc(cc1)S(=O)(=O)NCCNS(=O)(=O)c1cc(N)c(OC)cc1
inchi:
InChI=1S/C16H22N4O6S2/c1-25-15-5-3-11(9-13(15)17)27(21,22)19-7-8-20-28(23,24)12-4-6-16(26-2)14(18)10-12/h3-6,9-10,19-20H,7-8,17-18H2,1-2H3


name: p-(Methyleneamino)-N-(4-methyl-2-pyrimidyl)benzenesulphonamide
cas: 94232-22-1
chemspiderid: 17334253
dtxsid: DTXSID40241152
formula: C12H12N4O2S1
inchikey: JZPBPNRHCJPRSC-UHFFFAOYSA-N
norman_susdat_id: NS00040305
pubchem_cid: 16206078
smiles: Cc1ccnc(NS(=O)(=O)c2ccc(cc2)N=C)n1
inchi:
InChI=1S/C12H12N4O2S/c1-9-7-8-14-12(15-9)16-19(17,18)11-5-3-10(13-2)4-6-11/h3-8H,2H2,1H3,(H,14,15,16)


name: N-(4,6-Dimethyl-2-pyrimidinyl)-4-(methyleneamino)benzenesulphonamide
cas: 94232-23-2
chemspiderid: 2290094
dtxsid: DTXSID00241153
formula: C13H14N4O2S1
inchikey: XVGRQSRINPTMTF-UHFFFAOYSA-N
norman_susdat_id: NS00040306
pubchem_cid: 3024086
smiles: Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)N=C)n1
inchi:
InChI=1S/C13H14N4O2S/c1-9-8-10(2)16-13(15-9)17-20(18,19)12-6-4-11(14-3)5-7-12/h4-8H,3H2,1-2H3,(H,15,16,17)


name: Sodium 4-[[4-[[(2,6-dimethoxypyrimidin-4-yl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonate
cas: 94232-24-3
formula: C16H16N4O7S.Na
inchikey: IFEIDRGLYNQWDO-CFYXSCKTSA-M
norman_susdat_id: NS00093155
smiles: [Na+].COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C/C(=O)[O-])cc2)nc(OC)n1
inchi:
InChI=1/C16H16N4O7S.Na/c1-26-14-9-12(18-16(19-14)27-2)20-28(24,25)11-5-3-10(4-6-11)17-13(21)7-8-15(22)23;/h3-9H,1-2H3,(H,17,21)(H,22,23)(H,18,19,20);/q;+1/p-1


cas: 94232-25-4
dtxsid: DTXSID90916000
formula: C20H22N4O9S3
inchikey: LOYSPXFLDAFBJN-UHFFFAOYSA-L
norman_susdat_id: NS00066517
pubchem_cid: 16206079
smiles: [Na+].[Na+].O=S(=O)([O-])C(NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(OC)C=C2)CC(C=3C=CC=CC3)S(=O)(=O)[O-]
name:
Disodium 1-[[4-[[(6-methoxypyridazin-3-yl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate

inchi:
InChI=1/C20H22N4O9S3.2Na/c1-33-19-12-11-18(22-23-19)24-34(25,26)16-9-7-15(8-10-16)21-20(36(30,31)32)13-17(35(27,28)29)14-5-3-2-4-6-14;;/h2-12,17,20-21H,13H2,1H3,(H,22,24)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: L-aspartic acid, compound with 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1:1)
cas: 94232-27-6
formula: C14H18N4O3.C4H7NO4
inchikey: UIYDNHVEDFNQND-WNQIDUERSA-N
norman_susdat_id: NS00093311
smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C14H18N4O3.C4H7NO4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;5-2(4(8)9)1-3(6)7/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2H,1,5H2,(H,6,7)(H,8,9)


name: L-glutamic acid, compound with 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1:1)
cas: 94232-28-7
formula: C14H18N4O3.C5H9NO4
inchikey: NAMYMKQHASEADQ-HVDRVSQOSA-N
norman_susdat_id: NS00093433
smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1/C14H18N4O3.C5H9NO4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;6-3(5(9)10)1-2-4(7)8/h5-7H,4H2,1-3H3,(H4,15,16,17,18);3H,1-2,6H2,(H,7,8)(H,9,10)


name: 3-amino-4-hydroxybenzenesulphonamide sulphate
cas: 94232-34-5
formula: C6H8N2O3S.H2O4S
inchikey: FDFVKOFBWUBJRO-UHFFFAOYSA-N
norman_susdat_id: NS00093312
smiles: Nc1cc(ccc1O)S(=O)(=O)N.OS(=O)(=O)O
inchi:
InChI=1/C6H8N2O3S.H2O4S/c7-5-3-4(12(8,10)11)1-2-6(5)9;1-5(2,3)4/h1-3,9H,7H2,(H2,8,10,11);(H2,1,2,3,4)


name: Sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulphonate
cas: 94232-36-7
formula: C17H12N2O7S.Na
inchikey: JPZIWFKHPVTCGO-UHFFFAOYSA-M
norman_susdat_id: NS00093156
smiles: [Na+].Oc1cc(cc2cc(NC(=O)c3cccc(c3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C17H12N2O7S.Na/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23;/h1-9,20H,(H,18,21)(H,24,25,26);/q;+1/p-1


name: Sodium 4-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-2-sulphonate
cas: 94232-37-8
formula: C17H12N2O7S.Na
inchikey: MSXMLSRQONIBQV-UHFFFAOYSA-M
norman_susdat_id: NS00093434
smiles: [Na+].Oc1cc(cc2cc(NC(=O)c3ccc(cc3)[N+](=O)[O-])ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C17H12N2O7S.Na/c20-16-9-14(27(24,25)26)8-11-7-12(3-6-15(11)16)18-17(21)10-1-4-13(5-2-10)19(22)23;/h1-9,20H,(H,18,21)(H,24,25,26);/q;+1/p-1


name: Bismuth(3+) D-gluconate (1:3)
cas: 94232-39-0
formula: C6H12O7.1/3Bi
inchikey: UQMQXUCCHWTXDQ-AGRODQNPSA-K
norman_susdat_id: NS00093435
inchi:
InChI=1/3C6H12O7.Bi.3H/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;/h3*2-5,7-11H,1H2,(H,12,13);;;;/q;;;+3;;;/p-3/r3C6H12O7.BiH3/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);1H3/q;;;+3/p-3

smiles:
[BiH3+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]


name: Lead diundec-10-enoate
cas: 94232-40-3
formula: C11H20O2.1/2Pb
inchikey: CVCNKHFNZWSRBI-UHFFFAOYSA-L
norman_susdat_id: NS00093188
smiles: [Pb+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
inchi:
InChI=1/2C11H20O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;;;/h2*2H,1,3-10H2,(H,12,13);;;/q;;+4;;/p-2/r2C11H20O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);1H2/q;;+4/p-2


cas: 94232-41-4
formula: C17H24N5O2.xCl2Zn.Cl
inchikey: HMYNEAXBLRZOAU-UHFFFAOYSA-K
norman_susdat_id: NS00093315
smiles: [Zn+2].[Cl-].[Cl-].[Cl-].COc2ccc(N=Nc1ccc(cc1OC)N(CC)CC)[n+](C)n2
name:
6-[[4-(diethylamino)-2-methoxyphenyl]azo]-3-methoxy-1-methylpyridazinium chloride, compound with zinc chloride

inchi:
InChI=1/C17H24N5O2.3ClH.Zn/c1-6-22(7-2)13-8-9-14(15(12-13)23-4)18-19-16-10-11-17(24-5)20-21(16)3;;;;/h8-12H,6-7H2,1-5H3;3*1H;/q+1;;;;+2/p-3


name: Cobalt(2+) dinickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]
cas: 94232-44-7
formula: C6H8O7.1/2Co.Ni
inchikey: KGKXWYHTIXPVGY-UHFFFAOYSA-H
norman_susdat_id: NS00093396
smiles: [Co+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.Co.2Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: Lanthanum(3+) oleate
cas: 94232-46-9
formula: C18H34O2.1/3La
inchikey: MGIBNIQPMAAJOW-GNOQXXQHSA-K
norman_susdat_id: NS00093397
smiles: [La+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Praseodymium(3+) oleate
cas: 94232-47-0
formula: C18H34O2.1/3Pr
inchikey: RENJVUUROSVABU-GNOQXXQHSA-K
norman_susdat_id: NS00093398
smiles: [Pr+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Cerium(3+) oleate
cas: 94232-60-7
formula: C18H34O2.1/3Ce
inchikey: HZMBANJECWHRGE-GNOQXXQHSA-K
norman_susdat_id: NS00093399
smiles: [Ce+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Ce/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: 4-(benzoylamino)-2-[(ethoxycarbonyl)methylamino]-5-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 94232-64-1
dtxsid: DTXSID70241180
formula: C18H19N4O4
inchikey: KCDRBMNTRHFCSK-UHFFFAOYSA-L
norman_susdat_id: NS00066690
pubchem_cid: 44150592
inchi:
InChI=1/2C18H18N4O4.4ClH.Zn/c2*1-4-26-18(24)22(2)15-10-14(16(25-3)11-13(15)21-19)20-17(23)12-8-6-5-7-9-12;;;;;/h2*5-11H,4H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H18N4O4.Cl4Zn/c2*1-4-26-18(24)22(2)15-10-14(16(25-3)11-13(15)21-19)20-17(23)12-8-6-5-7-9-12;1-5(2,3)4/h2*5-11H,4H2,1-3H3;/q;;-2/p+2

smiles:
N#[N+]C=1C=C(OC)C(=CC1N(C(=O)OCC)C)NC(=O)C=2C=CC=CC2.N#[N+]C=1C=C(OC)C(=CC1N(C(=O)OCC)C)NC(=O)C=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: 1-ethyl-4-[2-[5-isopropyl-3,8-dimethylazulen-1-yl]vinyl]quinolinium iodide
cas: 94232-65-2
dtxsid: DTXSID30241181
formula: C28H30N
inchikey: CGYUGPJPXYVQAN-IERUDJENSA-M
norman_susdat_id: NS00066691
pubchem_cid: 16206082
smiles: [I-].C=1C=CC2=C(C1)C(C=CC3=CC(=C4C=C(C=CC(=C34)C)C(C)C)C)=CC=[N+]2CC
inchi:
InChI=1/C28H30N.HI/c1-6-29-16-15-22(25-9-7-8-10-27(25)29)13-14-24-17-21(5)26-18-23(19(2)3)12-11-20(4)28(24)26;/h7-19H,6H2,1-5H3;1H/q+1;/p-1


name: 2-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]butyric acid
cas: 94232-67-4
dtxsid: DTXSID70915995
formula: C18H15NO4
inchikey: ZQKLRJAOOUMVSA-UHFFFAOYSA-N
norman_susdat_id: NS00066158
pubchem_cid: 3024093
smiles: O=C(O)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2=O)CC
inchi:
InChI=1/C18H15NO4/c1-2-13(18(22)23)11-7-9-12(10-8-11)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,13H,2H2,1H3,(H,22,23)


cas: 94232-70-9
dtxsid: DTXSID90241182
formula: C25H25Cl2N2O5S3
inchikey: UPMBCOCBOLASHO-UHFFFAOYSA-N
norman_susdat_id: NS00065884
pubchem_cid: NA
smiles: O=C(O)CCN1C(SC2=CC=C(Cl)C=C21)=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CCCS(=O)(=O)[O-])CC
name:
2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C25H24Cl2N2O5S3/c1-2-16(13-24-29(10-8-25(30)31)20-15-18(27)5-7-22(20)36-24)12-23-28(9-3-11-37(32,33)34)19-14-17(26)4-6-21(19)35-23/h4-7,12-15H,2-3,8-11H2,1H3,(H-,30,31,32,33,34)


name: N,N-dibenzyl-3-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 94232-73-2
dtxsid: DTXSID50915993
formula: C32H27NO2
inchikey: PTXQAQMURVVVMY-UHFFFAOYSA-N
norman_susdat_id: NS00066498
pubchem_cid: 44149705
smiles: O1C=2C=CC=CC2C=CC13OC=4C=C(C=CC4C=C3C)N(CC=5C=CC=CC5)CC=6C=CC=CC6
inchi:
InChI=1/C32H27NO2/c1-24-20-28-16-17-29(21-31(28)35-32(24)19-18-27-14-8-9-15-30(27)34-32)33(22-25-10-4-2-5-11-25)23-26-12-6-3-7-13-26/h2-21H,22-23H2,1H3


name: 2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butyrate
cas: 94232-74-3
dtxsid: DTXSID90915992
formula: C19H29ClO3
inchikey: SOEMOICFERWGCW-UHFFFAOYSA-N
norman_susdat_id: NS00065393
pubchem_cid: 3024097
smiles: O=C(OCC(CC)CCCC)CCCOC1=CC=C(Cl)C=C1C
inchi:
InChI=1/C19H29ClO3/c1-4-6-8-16(5-2)14-23-19(21)9-7-12-22-18-11-10-17(20)13-15(18)3/h10-11,13,16H,4-9,12,14H2,1-3H3


cas: 94232-75-4
dtxsid: DTXSID30915991
formula: C36H32BrFN6O5
inchikey: PHSBYTVTEQKYCH-UHFFFAOYSA-N
norman_susdat_id: NS00065435
pubchem_cid: 11971348
smiles: O=C(NC=1C=CC=C(OC2=NC(F)=NC(=N2)N(CCCC)CCCC)C1)C3=CC=C4C(=O)C(C(=O)C4=C3)C5=NC=6C=CC=CC6C(Br)=C5O
name:
2-(4-bromo-3-hydroxy-2-quinolyl)-N-[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-2,3-dihydro-1,3-dioxo-1H-indene-5-carboxamide

inchi:
InChI=1/C36H32BrFN6O5/c1-3-5-16-44(17-6-4-2)35-41-34(38)42-36(43-35)49-22-11-9-10-21(19-22)39-33(48)20-14-15-23-25(18-20)31(46)27(30(23)45)29-32(47)28(37)24-12-7-8-13-26(24)40-29/h7-15,18-19,27,47H,3-6,16-17H2,1-2H3,(H,39,48)


name: D-Glucitol hexakis(bromoacetate)
cas: 94232-79-8
chemspiderid: 21167260
dtxsid: DTXSID70241185
formula: C18H20Br6O12
inchikey: KXLVTWBHOAXHQM-AYBUMKCRSA-N
norman_susdat_id: NS00022899
pubchem_cid: 44151521
smiles: BrCC(=O)OC[C@@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr
inchi:
InChI=1S/C18H20Br6O12/c19-1-11(25)31-7-9(33-13(27)3-21)17(35-15(29)5-23)18(36-16(30)6-24)10(34-14(28)4-22)8-32-12(26)2-20/h9-10,17-18H,1-8H2/t9-,10+,17-,18-/m1/s1


name: 2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthyl acetate
cas: 94232-80-1
dtxsid: DTXSID60915989
formula: C17H26O2
inchikey: HBDWWOUDCDZJLZ-UHFFFAOYSA-N
norman_susdat_id: NS00065436
pubchem_cid: 16206086
smiles: O=C(OC1C=C2CCC(C(=C)C)CC2(C)C(C)C1)C
inchi:
InChI=1/C17H26O2/c1-11(2)14-6-7-15-9-16(19-13(4)18)8-12(3)17(15,5)10-14/h9,12,14,16H,1,6-8,10H2,2-5H3


name: Dicobalt(2+) nickel(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]
cas: 94232-84-5
formula: C6H8O7.Co.1/2Ni
inchikey: MBNVBGYWYMSCIM-UHFFFAOYSA-H
norman_susdat_id: NS00093291
smiles: [Co+2].[Co+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.2Co.Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: 3-(3-amino-3-oxopropyl)-2-[[4-(diethylamino)phenyl]azo]-6-ethoxybenzothiazolium trichlorozincate
cas: 94233-04-2
formula: C22H28N5O2S.Cl3Zn
inchikey: UFZOGYWUTFUTQC-UHFFFAOYSA-L
norman_susdat_id: NS00092696
smiles: Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3CCC(N)=O)OCC
inchi:
InChI=1/C22H27N5O2S.3ClH.Zn/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;;;;/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);3*1H;/q;;;;+2/p-2/rC22H27N5O2S.Cl3Zn/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22;1-4(2)3/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28);/q;-1/p+1


name: Bis[6-[[4-(diethylamino)-o-tolyl]azo]-3-methoxy-1-methylpyridazinium] tetrachlorozincate(2-)
cas: 94233-06-4
dtxsid: DTXSID40241192
formula: C17H24N5O
inchikey: UUOFYQOHDPZIJI-UHFFFAOYSA-J
norman_susdat_id: NS00065396
pubchem_cid: 71300478
inchi:
InChI=1/2C17H24N5O.4ClH.Zn/c2*1-6-22(7-2)14-8-9-15(13(3)12-14)18-19-16-10-11-17(23-5)20-21(16)4;;;;;/h2*8-12H,6-7H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H24N5O.Cl4Zn/c2*1-6-22(7-2)14-8-9-15(13(3)12-14)18-19-16-10-11-17(23-5)20-21(16)4;1-5(2,3)4/h2*8-12H,6-7H2,1-5H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N(=NC1=CC=C(N=[N+]1C)OC)C2=CC=C(C=C2C)N(CC)CC.N(=NC1=CC=C(N=[N+]1C)OC)C2=CC=C(C=C2C)N(CC)CC


name: bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O)titanium
cas: 94233-27-9
dtxsid: DTXSID40893776
formula: C26H48O6Ti
inchikey: MYARBDGPDMLDNT-UHFFFAOYSA-N
norman_susdat_id: NS00113572
smiles: [Ti+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CCCCC(CC)C[O-].CCCCC(CC)C[O-]
inchi:
InChI=1/2C8H17O.2C5H7O2.Ti/c2*1-3-5-6-8(4-2)7-9;2*1-4(6)3-5(2)7;/h2*8H,3-7H2,1-2H3;2*3H,1-2H3;/q4*-1;+4


name: (8a,9R)-6'-methoxycinchonan-9-ol bis[tetraiodobismuthate(1-)]
cas: 94233-33-7
formula: C20H24N2O2.2BiI4.2H
inchikey: BXZKZMXYVOHCRH-RXYMRLARSA-F
norman_susdat_id: NS00092707
inchi:
InChI=1/2C20H24N2O2.2Bi.8HI/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;;;;;;;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;;8*1H/q;;2*+5;;;;;;;;/p-8/r2C20H24N2O2.2BiI4/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*2-1(3,4)5/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;;/q;;2*+1

smiles:
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.I[Bi-](I)(I)I.I[Bi-](I)(I)I


name: Tetradecyl hydrogen azelate
cas: 94236-77-8
chemspiderid: 21167265
dtxsid: DTXSID60241194
formula: C23H44O4
inchikey: SWJZZQVADSNNAS-UHFFFAOYSA-N
norman_susdat_id: NS00040307
pubchem_cid: 57356699
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O
inchi:
InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-27-23(26)20-17-14-12-13-16-19-22(24)25/h2-21H2,1H3,(H,24,25)


name: Docosyl hydrogen azelate
cas: 94236-78-9
chemspiderid: 21167266
dtxsid: DTXSID20241195
formula: C31H60O4
inchikey: CNIVJDHCHFZRFX-UHFFFAOYSA-N
norman_susdat_id: NS00040308
pubchem_cid: 44153067
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O
inchi:
InChI=1S/C31H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35-31(34)28-25-22-20-21-24-27-30(32)33/h2-29H2,1H3,(H,32,33)


cas: 94236-84-7
formula: C31H22N4O12S3
inchikey: ZKQHPPVXRBTMAM-UHFFFAOYSA-K
norman_susdat_id: NS00065898
pubchem_cid: NA
name:
Trisodium 4-[[1-hydroxy-6-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C31H22N4O12S3.3Na/c36-26-15-20(48(39,40)41)13-16-11-18(5-7-21(16)26)32-31(38)33-19-6-8-22-17(12-19)14-28(50(45,46)47)29(30(22)37)35-34-25-9-10-27(49(42,43)44)24-4-2-1-3-23(24)25;;;/h1-15,36-37H,(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(NC=1C=CC2=C(O)C=C(C=C2C1)S(=O)(=O)[O-])NC=3C=CC=4C(C3)=CC(=C(N=NC5=CC=C(C=6C=CC=CC56)S(=O)(=O)[O-])C4O)S(=O)(=O)[O-]


name: Sodium 2-[4-[(2,4-diaminophenyl)azo]anilino]-5-nitrobenzenesulphonate
cas: 94236-85-8
formula: C18H17N6O5S
inchikey: DXNMFOPLDOLPJP-UHFFFAOYSA-M
norman_susdat_id: NS00065899
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(N)C=C3N)C=C2)C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H16N6O5S.Na/c19-11-1-7-16(15(20)9-11)23-22-13-4-2-12(3-5-13)21-17-8-6-14(24(25)26)10-18(17)30(27,28)29;/h1-10,21H,19-20H2,(H,27,28,29);/q;+1/p-1


name: 3-[(2,4-diaminophenyl)azo]-5-sulphosalicylic acid
cas: 94236-86-9
formula: C13H12N4O6S
inchikey: NIBIQWLKEOSZCH-UHFFFAOYSA-N
norman_susdat_id: NS00065460
pubchem_cid: 3024101
smiles: O=C(O)C1=CC(=CC(N=NC2=CC=C(N)C=C2N)=C1O)S(=O)(=O)O
inchi:
InChI=1/C13H12N4O6S/c14-6-1-2-10(9(15)3-6)16-17-11-5-7(24(21,22)23)4-8(12(11)18)13(19)20/h1-5,18H,14-15H2,(H,19,20)(H,21,22,23)


name: Disodium 4-[(4-amino-2-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 94236-87-0
formula: C16H13N3O8S2
inchikey: ACWRIADXYIZUNS-UHFFFAOYSA-L
norman_susdat_id: NS00065900
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=NC3=CC=C(N)C=C3O)C=C(C=C2C1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H13N3O8S2.2Na/c17-9-1-2-12(14(20)5-9)18-19-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: Sodium 2-[(2-ethylhexyl)amino]ethanesulphonate
cas: 94236-88-1
dtxsid: DTXSID30915971
formula: C10H23NO3S
inchikey: QBSWOJHMHBPQTR-UHFFFAOYSA-M
norman_susdat_id: NS00065424
pubchem_cid: 3023955
smiles: [Na+].O=S(=O)([O-])CCNCC(CC)CCCC
inchi:
InChI=1/C10H23NO3S.Na/c1-3-5-6-10(4-2)9-11-7-8-15(12,13)14;/h10-11H,3-9H2,1-2H3,(H,12,13,14);/q;+1/p-1


name: Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonate)
cas: 94236-89-2
formula: C21H18N6O9S3.3K
inchikey: PXCHTXFLYYCDMY-UHFFFAOYSA-K
norman_susdat_id: NS00092975
smiles: [K+].[K+].[K+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4cccc(c4)S(=O)(=O)[O-])n2)c1
inchi:
InChI=1/C21H18N6O9S3.3K/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36;;;/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27);;;/q;3*+1/p-3


name: 1,2,3-propanetriyl tris(3-oxodecanoate)
cas: 94236-90-5
dtxsid: DTXSID70915970
formula: C33H56O9
inchikey: JMGZJVGBEHSEEW-UHFFFAOYSA-N
norman_susdat_id: NS00065461
pubchem_cid: 175601
smiles: O=C(OCC(OC(=O)CC(=O)CCCCCCC)COC(=O)CC(=O)CCCCCCC)CC(=O)CCCCCCC
inchi:
InChI=1/C33H56O9/c1-4-7-10-13-16-19-27(34)22-31(37)40-25-30(42-33(39)24-29(36)21-18-15-12-9-6-3)26-41-32(38)23-28(35)20-17-14-11-8-5-2/h30H,4-26H2,1-3H3


name: 2-chloroethyl 4-[bis(2-chloroethyl)amino]phenylbutyrate
cas: 94236-91-6
formula: C16H22Cl3NO2
inchikey: XKPZBHISWJRFSN-UHFFFAOYSA-N
norman_susdat_id: NS00065425
pubchem_cid: NA
smiles: O=C(OCCCl)CCCC=1C=CC=CC1N(CCCl)CCCl
inchi:
InChI=1/C16H22Cl3NO2/c17-8-11-20(12-9-18)15-6-2-1-4-14(15)5-3-7-16(21)22-13-10-19/h1-2,4,6H,3,5,7-13H2


name: Diammonium 1-hexadecyl 2-sulphonatosuccinate
cas: 94236-94-9
formula: C20H38O7S.2H3N
inchikey: FOIBHKKRXICHDQ-UHFFFAOYSA-N
norman_susdat_id: NS00093302
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C20H38O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;;/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*1H3


name: 1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)
cas: 94236-95-0
formula: C20H38O7S.2C4H11NO2
inchikey: QNXKJENTVYUSNC-UHFFFAOYSA-N
norman_susdat_id: NS00092976
smiles: CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C20H38O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*6-3-1-5-2-4-7/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*5-7H,1-4H2


name: 1-hexadecyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)
cas: 94236-96-1
formula: C20H38O7S.2C6H15NO3
inchikey: SRKWPKLDYNEGAX-UHFFFAOYSA-N
norman_susdat_id: NS00093303
smiles: CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
inchi:
InChI=1/C20H38O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;2*8-4-1-7(2-5-9)3-6-10/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*8-10H,1-6H2


name: Bis[[bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium] sulphate
cas: 94236-97-2
dtxsid: DTXSID70241201
formula: C25H52NO4
inchikey: KBXJGFSBRHIFFE-UHFFFAOYSA-L
norman_susdat_id: NS00066505
pubchem_cid: 44152365
smiles: O=C(OCC[N+](C)(CCO)CCO)CCCCCCCCCCCCCCCCC.O=C(OCC[N+](C)(CCO)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])[O-]
inchi:
InChI=1/2C25H52NO4.H2O4S/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5(2,3)4/h2*27-28H,3-24H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2


name: Diammonium 1-icosyl 2-sulphonatosuccinate
cas: 94236-98-3
formula: C24H46O7S.2H3N
inchikey: HCSHBWZSWCNZSL-UHFFFAOYSA-N
norman_susdat_id: NS00093304
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C24H46O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*1H3


name: 1-icosyl hydrogen 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:2)
cas: 94236-99-4
formula: C24H46O7S.2C4H11NO2
inchikey: IJVOUDATIUOHIH-UHFFFAOYSA-N
norman_susdat_id: NS00092710
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C24H46O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*6-3-1-5-2-4-7/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*5-7H,1-4H2


name: 1-icosyl hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)
cas: 94237-00-0
formula: C24H46O7S.2C6H15NO3
inchikey: FAGRQFNSINQHPS-UHFFFAOYSA-N
norman_susdat_id: NS00092711
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
inchi:
InChI=1/C24H46O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;2*8-4-1-7(2-5-9)3-6-10/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*8-10H,1-6H2


name: Azelaic acid, compound with 1,1',1''-nitrilotri(propan-2-ol)
cas: 94237-01-1
formula: C9H21NO3.xC9H16O4
inchikey: OOSCQGZZSHJQQW-UHFFFAOYSA-N
norman_susdat_id: NS00092712
smiles: CC(O)CN(CC(C)O)CC(C)O.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H21NO3.C9H16O4/c1-7(11)4-10(5-8(2)12)6-9(3)13;10-8(11)6-4-2-1-3-5-7-9(12)13/h7-9,11-13H,4-6H2,1-3H3;1-7H2,(H,10,11)(H,12,13)


name: Azelaic acid, compound with 1,1'-iminodi(propan-2-ol)
cas: 94237-02-2
formula: C9H16O4.xC6H15NO2
inchikey: SLKYCQJGNGACAZ-UHFFFAOYSA-N
norman_susdat_id: NS00093305
smiles: CC(O)CNCC(C)O.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C6H15NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-5(8)3-7-4-6(2)9/h1-7H2,(H,10,11)(H,12,13);5-9H,3-4H2,1-2H3


name: Azelaic acid, compound with 1-aminopropan-2-ol
cas: 94237-03-3
formula: C9H16O4.xC3H9NO
inchikey: CRFKYTUETGQPPX-UHFFFAOYSA-N
norman_susdat_id: NS00093306
smiles: CC(O)CN.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C3H9NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3(5)2-4/h1-7H2,(H,10,11)(H,12,13);3,5H,2,4H2,1H3


name: 3-chloro-1,1,1,5,5,5-hexamethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane
cas: 94237-06-6
dtxsid: DTXSID50241204
formula: C14H22ClF13O2Si3
inchikey: YFBVNTASMGOUJT-UHFFFAOYSA-N
norman_susdat_id: NS00065484
pubchem_cid: 44146719
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(O[Si](C)(C)C)O[Si](C)(C)C
inchi:
InChI=1/C14H22ClF13O2Si3/c1-31(2,3)29-33(15,30-32(4,5)6)8-7-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h7-8H2,1-6H3


name: Trimethylsilyloxy-1,1,1,5,5,5-hexamethyl-3-((perfluorohexyl)ethyl)trisiloxane
cas: 94237-07-7
dtxsid: DTXSID10241205
formula: C17H31F13O3Si4
inchikey: ODHLIRVOARWQJW-UHFFFAOYSA-N
norman_susdat_id: NS00109133
smiles: C[Si](C)(C)O[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C
inchi:
InChI=1S/C17H31F13O3Si4/c1-34(2,3)31-37(32-35(4,5)6,33-36(7,8)9)11-10-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h10-11H2,1-9H3


name: Methoxydimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 94237-08-8
dtxsid: DTXSID70241206
formula: C11H13F13OSi
inchikey: JCXUMXSOKCFWQJ-UHFFFAOYSA-N
norman_susdat_id: NS00065430
pubchem_cid: 3024106
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(C)C
inchi:
InChI=1/C11H13F13OSi/c1-25-26(2,3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3


name: [silanetetrayltetrakis(oxycyclohexylidene)]tetrakis[phenylmethanone]
cas: 94237-10-2
dtxsid: DTXSID90241208
formula: C52H60O8Si
inchikey: BRJVGTLSPCNXLK-UHFFFAOYSA-N
norman_susdat_id: NS00065930
pubchem_cid: 71300500
inchi:
InChI=1/C52H60O8Si/c53-45(41-25-9-1-10-26-41)49(33-17-5-18-34-49)57-61(58-50(35-19-6-20-36-50)46(54)42-27-11-2-12-28-42,59-51(37-21-7-22-38-51)47(55)43-29-13-3-14-30-43)60-52(39-23-8-24-40-52)48(56)44-31-15-4-16-32-44/h1-4,9-16,25-32H,5-8,17-24,33-40H2

smiles:
O=C(C=1C=CC=CC1)C2(O[Si](OC3(C(=O)C=4C=CC=CC4)CCCCC3)(OC5(C(=O)C=6C=CC=CC6)CCCCC5)OC7(C(=O)C=8C=CC=CC8)CCCCC7)CCCCC2


cas: 94237-11-3
dtxsid: DTXSID50241209
formula: C24H27F13O7Si
inchikey: CPXPPNIUDAIOKT-UHFFFAOYSA-N
norman_susdat_id: NS00065931
pubchem_cid: 44154016
smiles: O=C(OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C
name:
2-[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate

inchi:
InChI=1/C24H27F13O7Si/c1-6-15(38)41-11-18(12-42-16(39)7-2,13-43-17(40)8-3)14-44-45(4,5)10-9-19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h6-8H,1-3,9-14H2,4-5H3


cas: 94237-12-4
dtxsid: DTXSID50881189
formula: C37H41F13O14Si
inchikey: BNLPWLDLWVJTKW-UHFFFAOYSA-N
norman_susdat_id: NS00065431
pubchem_cid: NA
name:
2-[[[[3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy]methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]-2-[(acryloyloxy)methyl]propane-1,3-diyl diacrylate

inchi:
InChI=1/C37H41F13O14Si/c1-7-24(51)58-16-30(17-59-25(52)8-2,18-60-26(53)9-3)15-57-23-65(14-13-32(38,39)33(40,41)34(42,43)35(44,45)36(46,47)37(48,49)50)64-22-31(19-61-27(54)10-4,20-62-28(55)11-5)21-63-29(56)12-6/h7-12,65H,1-6,13-23H2

smiles:
O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC[SiH](OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C


cas: 94237-13-5
dtxsid: DTXSID60241210
formula: C50H55F13O21Si
inchikey: BNJYLQUDLJSQIH-UHFFFAOYSA-N
norman_susdat_id: NS00065432
pubchem_cid: 44147948
name:
2-[(acryloyloxy)methyl]-2-[[[bis[3-(acryloyloxy)-2,2-bis[(acryloyloxy)methyl]propoxy](3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]methyl]propane-1,3-diyl diacrylate

inchi:
InChI=1/C50H55F13O21Si/c1-10-33(64)73-21-42(22-74-34(65)11-2,23-75-35(66)12-3)30-82-85(20-19-45(51,52)46(53,54)47(55,56)48(57,58)49(59,60)50(61,62)63,83-31-43(24-76-36(67)13-4,25-77-37(68)14-5)26-78-38(69)15-6)84-32-44(27-79-39(70)16-7,28-80-40(71)17-8)29-81-41(72)18-9/h10-18H,1-9,19-32H2

smiles:
O=C(OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C


name: 1-[1-methyl-2-(4-nonylphenoxy)ethoxy]propan-2-ol
cas: 94237-14-6
dtxsid: DTXSID10915959
formula: C21H36O3
inchikey: OSSSJNFUQDBTJO-UHFFFAOYSA-N
norman_susdat_id: NS00065932
pubchem_cid: 3024107
smiles: OC(C)COC(C)COC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C21H36O3/c1-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)24-17-19(3)23-16-18(2)22/h12-15,18-19,22H,4-11,16-17H2,1-3H3


name: 1-(4-nonylphenoxy)propan-2-ol
cas: 94237-15-7
dtxsid: DTXSID50915958
formula: C18H30O2
inchikey: WLCXMYXZQNWTKN-UHFFFAOYSA-N
norman_susdat_id: NS00065488
pubchem_cid: 3024108
smiles: OC(C)COC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C18H30O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-16(2)19/h11-14,16,19H,3-10,15H2,1-2H3


name: 1,1-dichloro-3,3,3-trimethyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)disiloxane
cas: 94237-17-9
dtxsid: DTXSID20241211
formula: C11H13Cl2F13OSi2
inchikey: KPVGLNAGKNDXKJ-UHFFFAOYSA-N
norman_susdat_id: NS00065433
pubchem_cid: 44148432
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)O[Si](C)(C)C
inchi:
InChI=1/C11H13Cl2F13OSi2/c1-28(2,3)27-29(12,13)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4-5H2,1-3H3


name: Dimyristyl tartrate
cas: 94237-18-0
chemspiderid: 32699956
dtxsid: DTXSID80241212
formula: C32H62O6
inchikey: QLVARBCGUNCRTA-LOYHVIPDSA-N
norman_susdat_id: NS00022900
pubchem_cid: 44151365
smiles: CCCCCCCCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C32H62O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-31(35)29(33)30(34)32(36)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3/t29-,30-/m1/s1


name: Didocosyl (R-(R*,R*))-tartrate
cas: 94237-19-1
chemspiderid: 57523619
dtxsid: DTXSID40241213
formula: C48H94O6
inchikey: JFERDYYLAXLVIE-AWSIMMLFSA-N
norman_susdat_id: NS00040310
pubchem_cid: 44145953
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C48H94O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-53-47(51)45(49)46(50)48(52)54-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-50H,3-44H2,1-2H3/t45-,46-/m1/s1


name: Ammonium phenoxybenzenesulphonate, monododecyl derivative
cas: 94237-20-4
dtxsid: DTXSID00241214
formula: C24H34O4S
inchikey: WNALLXNBRWOGSI-UHFFFAOYSA-O
norman_susdat_id: NS00065933
pubchem_cid: NA
smiles: O=S(=O)(OCCCCCCCCCCCC)C=1C=CC=CC1OC=2C=CC=CC2.[NH4+]
inchi:
InChI=1/C24H34O4S.H3N/c1-2-3-4-5-6-7-8-9-10-16-21-27-29(25,26)24-20-15-14-19-23(24)28-22-17-12-11-13-18-22;/h11-15,17-20H,2-10,16,21H2,1H3;1H3/p+1


name: Bis[tris(2-hydroxyethyl)ammonium] nitroheptanedioate
cas: 94237-21-5
dtxsid: DTXSID30915956
formula: C7H12NO6
inchikey: HHXIFUXZIFFBLH-UHFFFAOYSA-N
norman_susdat_id: NS00065489
pubchem_cid: NA
smiles: O=C([O-])CCCCC(C(=O)[O-])[N+](=O)[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO
inchi:
InChI=1/C7H11NO6.2C6H15NO3/c9-6(10)4-2-1-3-5(7(11)12)8(13)14;2*8-4-1-7(2-5-9)3-6-10/h5H,1-4H2,(H,9,10)(H,11,12);2*8-10H,1-6H2


name: [1-[(1-phenylethyl)phenyl]ethyl]-m-xylene
cas: 94237-30-6
formula: C24H26
inchikey: YMCLEEKGMXFGLP-UHFFFAOYSA-N
norman_susdat_id: NS00065490
pubchem_cid: 3024109
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2C(C=3C(=CC=CC3C)C)C)C
inchi:
InChI=1/C24H26/c1-17-11-10-12-18(2)24(17)20(4)23-16-9-8-15-22(23)19(3)21-13-6-5-7-14-21/h5-16,19-20H,1-4H3


cas: 94237-33-9
dtxsid: DTXSID60241215
formula: C28H40FNO6
inchikey: CBMIUTGJPQBPAV-OZJKAIRQSA-N
norman_susdat_id: NS00065934
pubchem_cid: 121486642
smiles: Cl.O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CN(CC)CC)C4(C)CC(O)C32F)C
name:
(11ß,16ß)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride

inchi:
InChI=1/C28H40FNO6.ClH/c1-6-30(7-2)15-24(34)36-16-23(33)28(35)17(3)12-21-20-9-8-18-13-19(31)10-11-25(18,4)27(20,29)22(32)14-26(21,28)5;/h10-11,13,17,20-22,32,35H,6-9,12,14-16H2,1-5H3;1H


name: 9beta,11beta-Epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 94237-35-1
chemspiderid: 21167296
dtxsid: DTXSID20241216
formula: C26H32O7
inchikey: WEQDHZQBKWZVKB-SQOVUSLMSA-N
norman_susdat_id: NS00040311
pubchem_cid: 71300503
smiles: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O
inchi:
InChI=1S/C26H32O7/c1-14-10-20-19-7-6-17-11-18(29)8-9-23(17,4)26(19)22(33-26)12-24(20,5)25(14,32-16(3)28)21(30)13-31-15(2)27/h8-9,11,14,19-20,22H,6-7,10,12-13H2,1-5H3/t14-,19-,20-,22-,23-,24-,25-,26+/m0/s1


name: Sodium (+)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate
cas: 94237-37-3
dtxsid: DTXSID30915951
formula: C17H15NO3S
inchikey: ZROMPRNVGQDWHE-UHFFFAOYSA-M
norman_susdat_id: NS00065491
pubchem_cid: NA
smiles: [Na+].O=C([O-])C(C1=CC=C(SN2C(=O)C=3C=CC=CC3C2)C=C1)C
inchi:
InChI=1/C17H15NO3S.Na/c1-11(17(20)21)12-6-8-14(9-7-12)22-18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1


name: 4-Amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboximidic acid
cas: 942436-93-3
dtxsid: DTXSID60915944
formula: C20H22N4O3
inchikey: NVWCZRPXYVDQEE-UHFFFAOYSA-N
norman_susdat_id: NS00072940
smiles: CCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
inchi:
InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)


name: N,N'-(Iminodiethylene)bis(isononan-1-amide)
cas: 94246-83-0
chemspiderid: 31149882
dtxsid: DTXSID40241233
formula: C22H45N3O2
inchikey: JJWSAGSKOWJSRH-UHFFFAOYSA-N
norman_susdat_id: NS00040313
pubchem_cid: 44146389
smiles: CC(C)CCCCCC(=O)NCCNCCNC(=O)CCCCCC(C)C
inchi:
InChI=1S/C22H45N3O2/c1-19(2)11-7-5-9-13-21(26)24-17-15-23-16-18-25-22(27)14-10-6-8-12-20(3)4/h19-20,23H,5-18H2,1-4H3,(H,24,26)(H,25,27)


name: Isononyl palmitate
cas: 94247-00-4
chemspiderid: NA
dtxsid: DTXSID70241241
formula: C25H50O2
inchikey: UBGYURICIGUKHC-UHFFFAOYSA-N
norman_susdat_id: NS00040314
pubchem_cid: 44146429
smiles: CCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-20-17-16-18-21-24(2)3/h24H,4-23H2,1-3H3


name: Hexyl isooctadecanoate
cas: 94247-25-3
chemspiderid: 20562986
dtxsid: DTXSID20241256
formula: C24H48O2
inchikey: FPMPNVIMFPEKRN-UHFFFAOYSA-N
norman_susdat_id: NS00040324
pubchem_cid: 16731397
smiles: CCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C24H48O2/c1-4-5-6-19-22-26-24(25)21-18-16-14-12-10-8-7-9-11-13-15-17-20-23(2)3/h23H,4-22H2,1-3H3


name: Myristyl isostearate
cas: 94247-26-4
chemspiderid: 31149877
dtxsid: DTXSID80241257
formula: C32H64O2
inchikey: HBPNTDBLHQHPLH-UHFFFAOYSA-N
norman_susdat_id: NS00040325
pubchem_cid: 17751165
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C32H64O2/c1-4-5-6-7-8-9-10-15-18-21-24-27-30-34-32(33)29-26-23-20-17-14-12-11-13-16-19-22-25-28-31(2)3/h31H,4-30H2,1-3H3


name: Isocetyl behenate
cas: 94247-28-6
chemspiderid: 31149876
dtxsid: DTXSID40241258
formula: C38H76O2
inchikey: QSPIWLSLJAVCNC-UHFFFAOYSA-N
norman_susdat_id: NS00022901
pubchem_cid: 44148920
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C38H76O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-38(39)40-36-33-30-27-24-21-18-19-22-25-28-31-34-37(2)3/h37H,4-36H2,1-3H3


name: Isoicosyl methacrylate
cas: 94247-36-6
chemspiderid: 31149875
dtxsid: DTXSID00241259
formula: C24H46O2
inchikey: DCJOCPLKOTVHGV-UHFFFAOYSA-N
norman_susdat_id: NS00040326
pubchem_cid: 13847825
smiles: CC(C)CCCCCCCCCCCCCCCCCOC(=O)C(C)=C
inchi:
InChI=1S/C24H46O2/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-26-24(25)23(3)4/h22H,3,5-21H2,1-2,4H3


name: Dihexadecenyl 3,3'-thiobispropionate
cas: 94247-41-3
formula: C38H70O4S
inchikey: UXCVPGNVCHISFE-UHFFFAOYSA-N
norman_susdat_id: NS00066524
pubchem_cid: 57356711
smiles: O=C(OC=CCCCCCCCCCCCCCC)CCSCCC(=O)OC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C38H70O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41-37(39)31-35-43-36-32-38(40)42-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32,35-36H2,1-2H3


name: 4-benzyl hydrogen 2-dodecenylsuccinate
cas: 94247-51-5
formula: C23H34O4
inchikey: DTZCEDKZDHFJOH-UHFFFAOYSA-M
norman_susdat_id: NS00066525
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)CC(C(=O)[O-])CC=CCCCCCCCCC
inchi:
InChI=1/C23H34O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(23(25)26)18-22(24)27-19-20-15-12-11-13-16-20/h10-16,21H,2-9,17-19H2,1H3,(H,25,26)/p-1


name: 4-cyclohexyl hydrogen 2-octadecenylsuccinate
cas: 94247-53-7
formula: C28H50O4
inchikey: VNYJGPQINNHVKF-UHFFFAOYSA-M
norman_susdat_id: NS00065512
pubchem_cid: NA
smiles: O=C(OC1CCCCC1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28(30)31)24-27(29)32-26-22-19-17-20-23-26/h16,18,25-26H,2-15,17,19-24H2,1H3,(H,30,31)/p-1


name: 4-(3-methylcyclohexyl) hydrogen 2-octadecenylsuccinate
cas: 94247-55-9
formula: C29H52O4
inchikey: GTHLUNAAZNFADC-UHFFFAOYSA-M
norman_susdat_id: NS00066526
pubchem_cid: NA
smiles: O=C(OC1CCCC(C)C1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(29(31)32)24-28(30)33-27-22-19-20-25(2)23-27/h17-18,25-27H,3-16,19-24H2,1-2H3,(H,31,32)/p-1


name: 4-(4-methylcyclohexyl) hydrogen 2-octadecenylsuccinate
cas: 94247-57-1
formula: C29H52O4
inchikey: CZPKNAHWABNAFE-UHFFFAOYSA-M
norman_susdat_id: NS00065457
pubchem_cid: NA
smiles: O=C(OC1CCC(C)CC1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29(31)32)24-28(30)33-27-22-20-25(2)21-23-27/h17-18,25-27H,3-16,19-24H2,1-2H3,(H,31,32)/p-1


name: 4-(3,3,5-trimethylcyclohexyl) hydrogen 2-octadecenylsuccinate
cas: 94247-59-3
formula: C31H56O4
inchikey: FCTHZVMNDWBLEO-UHFFFAOYSA-M
norman_susdat_id: NS00066527
pubchem_cid: NA
smiles: O=C(OC1CC(C)CC(C)(C)C1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C31H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30(33)34)23-29(32)35-28-22-26(2)24-31(3,4)25-28/h19-20,26-28H,5-18,21-25H2,1-4H3,(H,33,34)/p-1


name: N,N-dibutyloctadecenamide
cas: 94247-60-6
formula: C26H51NO
inchikey: BDCIMPVVHVHFAW-UHFFFAOYSA-N
norman_susdat_id: NS00065513
pubchem_cid: 53437343
smiles: O=C(C=CCCCCCCCCCCCCCCC)N(CCCC)CCCC
inchi:
InChI=1/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h22-23H,4-21,24-25H2,1-3H3


name: sec-hexadecylnaphthalene
cas: 94247-63-9
chemspiderid: 110184
formula: C26H40
inchikey: YRKSLYAWOBZISP-UHFFFAOYSA-N
norman_susdat_id: NS00019419
pubchem_cid: 123590
smiles: c1(c2c(cccc2)ccc1)[C@@H](CCCCCCCCCCCCCC)C
inchi:
InChI=1S/C26H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23(2)25-22-17-20-24-19-15-16-21-26(24)25/h15-17,19-23H,3-14,18H2,1-2H3/t23-/m1/s1


name: Sodium 4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo](phenylamino)naphthalene-2-sulphonate
cas: 94247-73-1
formula: C22H17N4O7S
inchikey: NDGWXZGUWCTGKF-UHFFFAOYSA-M
norman_susdat_id: NS00065961
pubchem_cid: 135750097
smiles: [Na+].O=[N+]([O-])C1=CC=C(O)C(N=NC2=C(O)C=3C=CC=CC3C(NC=4C=CC=CC4)=C2S(=O)(=O)[O-])=C1
inchi:
InChI=1/C22H16N4O7S.Na/c27-18-11-10-14(26(29)30)12-17(18)24-25-20-21(28)16-9-5-4-8-15(16)19(22(20)34(31,32)33)23-13-6-2-1-3-7-13;/h1-12,23,27-28H,(H,31,32,33);/q;+1/p-1


name: diisobutylnaphthalenesulfonic acid
cas: 94247-74-2
chemspiderid: 2283598
formula: C18H24O3S1
inchikey: KBLAMUYRMZPYLS-UHFFFAOYSA-N
norman_susdat_id: NS00008684
pubchem_cid: 3015459
smiles: CC(C)Cc1cc2ccccc2c(c1CC(C)C)S(O)(=O)=O
inchi:
InChI=1S/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)


name: Diisobutylnaphthalene-2-sulphonic acid
cas: 94247-75-3
chemspiderid: 2290109
dtxsid: DTXSID90241268
formula: C18H24O3S1
inchikey: UTDRFZYLWMKWGN-UHFFFAOYSA-N
norman_susdat_id: NS00040328
pubchem_cid: 3024115
smiles: CC(C)CC1=CC2=CC=CC=C2C(CC(C)C)=C1S(O)(=O)=O
inchi:
InChI=1S/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)17(10-13(3)4)18(15)22(19,20)21/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)


name: Sodium tetracosylbenzenesulphonate
cas: 94247-81-1
formula: C30H54O3S.Na
inchikey: MPIBCHJSJHJLRX-UHFFFAOYSA-M
norman_susdat_id: NS00092734
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C30H54O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;+1/p-1


name: 2-(butyl-2-methylphenoxy)-1-(2-phenylethoxy)ethanol
cas: 94247-88-8
dtxsid: DTXSID60915909
formula: C21H30O3
inchikey: NCWUPLBOJNBYDZ-UHFFFAOYSA-N
norman_susdat_id: NS00065478
pubchem_cid: NA
smiles: OC(OCCC=1C=CC=CC1)COC2C=CC=CC2(C)CCCC
inchi:
InChI=1/C21H30O3/c1-3-4-14-21(2)15-9-8-12-19(21)24-17-20(22)23-16-13-18-10-6-5-7-11-18/h5-12,15,19-20,22H,3-4,13-14,16-17H2,1-2H3


name: 1,4-bis(ethylhexyl) 2-sulphosuccinate, compound with 2-aminoethanol (1:1)
cas: 94247-92-4
dtxsid: DTXSID00915908
formula: C20H38O7S
inchikey: OBXVYQJLVQTLOH-UHFFFAOYSA-N
norman_susdat_id: NS00065977
pubchem_cid: 44149988
smiles: O=C(OC(CC)CCCCC)CC(C(=O)OC(CC)CCCCC)S(=O)(=O)O.OCCN
inchi:
InChI=1/C20H38O7S.C2H7NO/c1-5-9-11-13-16(7-3)26-19(21)15-18(28(23,24)25)20(22)27-17(8-4)14-12-10-6-2;3-1-2-4/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H,1-3H2


name: Tetradecachloro-29H,31H-phthalocyanine
cas: 94247-95-7
formula: C32H2Cl14N8
inchikey: QKGPRRJCMULPLQ-UHFFFAOYSA-N
norman_susdat_id: NS00065479
pubchem_cid: NA
inchi:
InChI=1/C32H2Cl14N8/c33-4-2-1-3-5(12(4)34)26-47-25(3)48-27-6-7(14(36)20(42)19(41)13(6)35)29(50-27)52-31-10-11(18(40)24(46)23(45)17(10)39)32(54-31)53-30-9-8(28(49-26)51-30)15(37)21(43)22(44)16(9)38/h1-2H

smiles:
ClC=1C=CC=2C=3N=C(N=C4N=C(N=C5N=C(N=C6N=C(N3)C7=C(Cl)C(Cl)=C(Cl)C(Cl)=C67)C=8C(Cl)=C(Cl)C(Cl)=C(Cl)C58)C=9C(Cl)=C(Cl)C(Cl)=C(Cl)C49)C2C1Cl


name: Pentadecachloro-29H,31H-phthalocyanine
cas: 94247-96-8
formula: C32H9Cl15N8
inchikey: RNTYGPBHFCYSCT-UHFFFAOYSA-N
norman_susdat_id: NS00066531
pubchem_cid: NA
inchi:
InChI=1/C32HCl15N8/c33-3-1-2-4(12(35)11(3)34)26-48-25(2)49-27-5-6(14(37)20(43)19(42)13(5)36)29(51-27)53-31-9-10(18(41)24(47)23(46)17(9)40)32(55-31)54-30-8-7(28(50-26)52-30)15(38)21(44)22(45)16(8)39/h1H

smiles:
ClC1=CC=2C=3N=C(N=C4N=C(N=C5N=C(N=C6N=C(N3)C7=C(Cl)C(Cl)=C(Cl)C(Cl)=C67)C=8C(Cl)=C(Cl)C(Cl)=C(Cl)C58)C=9C(Cl)=C(Cl)C(Cl)=C(Cl)C49)C2C(Cl)=C1Cl


name: 2-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)benzothiazolesulphonic acid
cas: 94247-98-0
dtxsid: DTXSID20915905
formula: C27H43N3O4S2
inchikey: RXBHAYGECQKZPL-UHFFFAOYSA-N
norman_susdat_id: NS00066532
pubchem_cid: 21149824
smiles: O=C1N(N=C(C1)CCCCCCCCCCCCCCCCC)C2(SC=3C=CC=CC3N2)S(=O)(=O)O
inchi:
InChI=1/C27H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22-26(31)30(29-23)27(36(32,33)34)28-24-20-17-18-21-25(24)35-27/h17-18,20-21,28H,2-16,19,22H2,1H3,(H,32,33,34)


name: Magnesium octadecyltoluenesulphonate
cas: 94248-00-7
dtxsid: DTXSID60915904
formula: C25H44O3S
inchikey: VVLFPSBIRCVPAJ-UHFFFAOYSA-L
norman_susdat_id: NS00065480
pubchem_cid: 3024126
smiles: [Mg+2].O=S(=O)([O-])C=1C(=CC=CC1CCCCCCCCCCCCCCCCCC)C.O=S(=O)([O-])C=1C(=CC=CC1CCCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/2C25H44O3S.Mg/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23(2)25(24)29(26,27)28;/h2*19-20,22H,3-18,21H2,1-2H3,(H,26,27,28);/q;;+2/p-2


name: (Methylenebis(oxymethyleneoxy))bis(ethylbenzene)
cas: 94248-02-9
chemspiderid: 21167309
dtxsid: DTXSID00241274
formula: C19H24O4
inchikey: VTBHDXAWHDYYGW-UHFFFAOYSA-N
norman_susdat_id: NS00040332
pubchem_cid: 71300537
smiles: CCC1=CC=CC=C1OCOCOCOC1=CC=CC=C1CC
inchi:
InChI=1S/C19H24O4/c1-3-16-9-5-7-11-18(16)22-14-20-13-21-15-23-19-12-8-6-10-17(19)4-2/h5-12H,3-4,13-15H2,1-2H3


name: Ammonium bis(tert-butyl)naphthalenesulphonate
cas: 94248-03-0
formula: C20H28O3S.H3N
inchikey: AZSNVKYBSYPYKG-UHFFFAOYSA-N
norman_susdat_id: NS00092719
smiles: [NH4+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O3S.H3N/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);1H3


name: (octadecyl)toluene
cas: 94248-04-1
formula: C87H168
inchikey: GBSWWMLUSNVWLI-UHFFFAOYSA-N
norman_susdat_id: NS00065551
pubchem_cid: NA
inchi:
InChI=1/C87H168/c1-9-17-25-33-41-49-57-65-73-81-82(74-66-58-50-42-34-26-18-10-2)84(76-68-60-52-44-36-28-20-12-4)86(85(77-69-61-53-45-37-29-21-13-5)83(81)75-67-59-51-43-35-27-19-11-3)87(78-70-62-54-46-38-30-22-14-6,79-71-63-55-47-39-31-23-15-7)80-72-64-56-48-40-32-24-16-8/h9-80H2,1-8H3

smiles:
C=1(C(=C(C(=C(C1CCCCCCCCCC)CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC


name: Naphthalenesulphonic acid, compound with dipentylamine (1:1)
cas: 94248-09-6
formula: C10H23N.C10H8O3S
inchikey: OEWVMTIRSIJENF-UHFFFAOYSA-N
norman_susdat_id: NS00092720
smiles: CCCCCNCCCCC.OS(=O)(=O)c1cccc2ccccc12
inchi:
InChI=1/C10H23N.C10H8O3S/c1-3-5-7-9-11-10-8-6-4-2;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h11H,3-10H2,1-2H3;1-7H,(H,11,12,13)


name: N,N''-(Methyl-m-phenylene)bis(N'-benzylurea)
cas: 94248-10-9
chemspiderid: 21167311
dtxsid: DTXSID80241277
formula: C23H24N4O2
inchikey: SYAYKVXCNYJZJJ-UHFFFAOYSA-N
norman_susdat_id: NS00040333
pubchem_cid: 44151387
smiles: CC1=C(NC(=O)NCC2=CC=CC=C2)C=CC=C1NC(=O)NCC1=CC=CC=C1
inchi:
InChI=1S/C23H24N4O2/c1-17-20(26-22(28)24-15-18-9-4-2-5-10-18)13-8-14-21(17)27-23(29)25-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H2,24,26,28)(H2,25,27,29)


name: Sodium [[4-anilino-9,10-dihydro-1-hydroxy-9,10-dioxo-2-anthryl]amino]benzenesulphonate
cas: 94248-14-3
formula: C26H18N2O6S
inchikey: WZDYIIIEAXZWKA-UHFFFAOYSA-M
norman_susdat_id: NS00065481
pubchem_cid: 3024130
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(NC=4C=CC=CC4S(=O)(=O)[O-])=C(O)C13)NC=5C=CC=CC5
inchi:
InChI=1/C26H18N2O6S.Na/c29-24-16-10-4-5-11-17(16)25(30)23-22(24)19(27-15-8-2-1-3-9-15)14-20(26(23)31)28-18-12-6-7-13-21(18)35(32,33)34;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1


name: Sodium [[3-anilino-9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl]amino]benzenesulphonate
cas: 94248-15-4
dtxsid: DTXSID80915901
formula: C26H18N2O6S
inchikey: DBJUHVXXKUHUHV-UHFFFAOYSA-M
norman_susdat_id: NS00065979
pubchem_cid: 3024132
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(NC=4C=CC=CC4)=C(O)C13)NC=5C=CC=CC5S(=O)(=O)[O-]
inchi:
InChI=1/C26H18N2O6S.Na/c29-24-16-10-4-5-11-17(16)25(30)23-22(24)19(28-18-12-6-7-13-21(18)35(32,33)34)14-20(26(23)31)27-15-8-2-1-3-9-15;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1


name: Sodium [[10-anilino-4,9-dihydro-1-hydroxy-4,9-dioxo-2-anthryl]amino]benzenesulphonate
cas: 94248-16-5
formula: C26H18N2O6S
inchikey: RQWNMVHGRKULSY-UHFFFAOYSA-M
norman_susdat_id: NS00065980
pubchem_cid: NA
smiles: [Na+].O=C1C=C(NC=2C=CC=CC2S(=O)(=O)[O-])C(O)=C3C(=O)C=4C=CC=CC4C(NC=5C=CC=CC5)=C13
inchi:
InChI=1/C26H18N2O6S.Na/c29-20-14-19(28-18-12-6-7-13-21(18)35(32,33)34)26(31)23-22(20)24(27-15-8-2-1-3-9-15)16-10-4-5-11-17(16)25(23)30;/h1-14,27-28,31H,(H,32,33,34);/q;+1/p-1


cas: 94248-17-6
formula: C30H26N6O7S
inchikey: BMGQREYXYODGOH-UHFFFAOYSA-M
norman_susdat_id: NS00065981
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C=C(O)C=CC2=C1N=NC3C=CC(N=NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4)(C=C3OC)C
name:
Sodium 4,6-dihydroxy[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-methoxy-p-tolyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C30H26N6O7S.Na/c1-30(36-33-20-5-3-18(4-6-20)31-32-19-7-9-21(37)10-8-19)14-13-25(27(17-30)43-2)34-35-29-23-12-11-22(38)15-24(23)26(39)16-28(29)44(40,41)42;/h3-17,25,37-39H,1-2H3,(H,40,41,42);/q;+1/p-1


name: Dinitro-1,4-bis(2,4,6-trinitrophenoxy)benzene
cas: 94248-18-7
dtxsid: DTXSID20915900
formula: C18H16N8O18
inchikey: LISYSRMAZVNCML-UHFFFAOYSA-N
norman_susdat_id: NS00065482
pubchem_cid: NA
inchi:
InChI=1/C18H8N8O18/c27-19(28)8-3-11(21(31)32)16(12(4-8)22(33)34)43-10-1-2-18(26(41)42,15(7-10)25(39)40)44-17-13(23(35)36)5-9(20(29)30)6-14(17)24(37)38/h1-7,15H

smiles:
O=[N+]([O-])C=1C=C(C(OC=2C=CC(OC=3C(=CC(=CC3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])C(C2)[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]


cas: 94248-22-3
chemspiderid: 57495629
dtxsid: DTXSID00241279
formula: C35H46N2O14
inchikey: CDSYTHZTADKLLD-UHFFFAOYSA-N
norman_susdat_id: NS00040335
pubchem_cid: 44148329
smiles: CC(=C)C(=O)OCC(CO)(COC(=O)NC1=CC(NC(=O)OCC(CO)(COC(=O)C(C)=C)COC(=O)C(C)=C)=C(C)C=C1)COC(=O)C(C)=C
name:
2-((((3-(((3-Hydroxy-2,2-bis((methacryloyloxy)methyl)propoxy)carbonyl)amino)tolyl)carbamoyl)oxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl dimethacrylate

inchi:
InChI=1S/C35H46N2O14/c1-21(2)28(40)46-15-34(13-38,16-47-29(41)22(3)4)19-50-32(44)36-26-11-10-25(9)27(12-26)37-33(45)51-20-35(14-39,17-48-30(42)23(5)6)18-49-31(43)24(7)8/h10-12,38-39H,1,3,5,7,13-20H2,2,4,6,8-9H3,(H,36,44)(H,37,45)


name: Calcium methyloctadecylbenzenesulphonate
cas: 94248-25-6
formula: C25H44O3S.1/2Ca
inchikey: ZZBHVPHVCDKSLN-UHFFFAOYSA-L
norman_susdat_id: NS00092753
smiles: [Ca+2].CCCCCCCCCCCCCCCCCC(C)c1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(C)c2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C25H44O3S.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(2)24-21-18-19-22-25(24)29(26,27)28;/h2*18-19,21-23H,3-17,20H2,1-2H3,(H,26,27,28);/q;;+2/p-2


name: Hydroxy[(hydroxymethylphenyl)sulphonyl]methylbenzenesulphonic acid
cas: 94248-30-3
dtxsid: DTXSID50915897
formula: C14H14O7S2
inchikey: QGWNVORQABNCKV-UHFFFAOYSA-N
norman_susdat_id: NS00065538
pubchem_cid: NA
smiles: O=S(=O)(O)C=1C=CC=CC1C(O)S(=O)(=O)C=2C=CC=CC2CO
inchi:
InChI=1/C14H14O7S2/c15-9-10-5-1-3-7-12(10)22(17,18)14(16)11-6-2-4-8-13(11)23(19,20)21/h1-8,14-16H,9H2,(H,19,20,21)


name: Methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
cas: 94248-34-7
formula: C18H23NO2
inchikey: ZEIURLXALIRALL-UHFFFAOYSA-N
norman_susdat_id: NS00066024
pubchem_cid: 3024139
smiles: O=C(OC)C=1C=CC=CC1N=CC2(C)CCC=CC2(C)C
inchi:
InChI=1/C18H23NO2/c1-17(2)11-7-8-12-18(17,3)13-19-15-10-6-5-9-14(15)16(20)21-4/h5-7,9-11,13H,8,12H2,1-4H3


name: (hexadecyl)icosyl methacrylate
cas: 94248-41-6
dtxsid: DTXSID30915895
formula: C84H166O2
inchikey: SDIYUEQUIQXIMK-UHFFFAOYSA-N
norman_susdat_id: NS00066025
pubchem_cid: NA
inchi:
InChI=1/C84H166O2/c1-10-17-24-31-38-45-46-47-48-49-50-51-54-61-68-75-82(73-66-59-52-39-32-25-18-11-2,74-67-60-53-40-33-26-19-12-3)83(76-69-62-55-41-34-27-20-13-4,77-70-63-56-42-35-28-21-14-5)84(86-81(85)80(8)9,78-71-64-57-43-36-29-22-15-6)79-72-65-58-44-37-30-23-16-7/h8,10-79H2,1-7,9H3

smiles:
O=C(OC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCCCCCCCCC)C(=C)C


name: Dodecylpentadecyl methacrylate
cas: 94248-42-7
dtxsid: DTXSID70915894
formula: C31H60O2
inchikey: JEBMFONDEFPKAD-UHFFFAOYSA-N
norman_susdat_id: NS00066543
pubchem_cid: 3024142
smiles: O=C(OC(CCCCCCCCCCCC)CCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C31H60O2/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30(33-31(32)29(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h30H,3,5-28H2,1-2,4H3


name: 4,4'-((4-Hydroxyphenyl)-1-methyldecylidene)bisphenol
cas: 94248-43-8
dtxsid: DTXSID00897417
formula: C29H36O3
inchikey: DCFMUIBWZBZJAR-UHFFFAOYSA-N
norman_susdat_id: NS00093681
smiles: CC(CCCCCCCCCC1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
inchi:
InChI=1S/C29H36O3/c1-29(24-12-18-27(31)19-13-24,25-14-20-28(32)21-15-25)22-8-6-4-2-3-5-7-9-23-10-16-26(30)17-11-23/h10-21,30-32H,2-9,22H2,1H3


name: Lithium dimethylnaphthalenesulphonate
cas: 94248-45-0
formula: C12H12O3S.Li
inchikey: QFFCDLDNLKIGFL-UHFFFAOYSA-M
norman_susdat_id: NS00093321
smiles: [Li+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-]
inchi:
InChI=1/C12H12O3S.Li/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1


name: Lithium dibutylnaphthalenesulphonate
cas: 94248-46-1
formula: C18H24O3S.Li
inchikey: PQAXCGVQEFIFAR-UHFFFAOYSA-M
norman_susdat_id: NS00093322
smiles: [Li+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O3S.Li/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1


name: Lithium (1-methylethyl)naphthalenesulphonate
cas: 94248-47-2
formula: C13H14O3S.Li
inchikey: YHVYBRSWPZLBKP-UHFFFAOYSA-M
norman_susdat_id: NS00093039
smiles: [Li+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C13H14O3S.Li/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1


name: Lithium diisopropylnaphthalenesulphonate
cas: 94248-48-3
formula: C16H20O3S.Li
inchikey: XPLODJXAXKKWOC-UHFFFAOYSA-M
norman_susdat_id: NS00093323
smiles: [Li+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C16H20O3S.Li/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1


name: Dinitro-1,2-bis(2,4,6-trinitrophenoxy)benzene
cas: 94248-50-7
dtxsid: DTXSID30915890
formula: C18H16N8O18
inchikey: RJYFDPUDQBFATJ-UHFFFAOYSA-N
norman_susdat_id: NS00065539
pubchem_cid: NA
inchi:
InChI=1/C18H8N8O18/c27-19(28)9-5-11(21(31)32)15(12(6-9)22(33)34)43-17(25(39)40)3-1-2-4-18(17,26(41)42)44-16-13(23(35)36)7-10(20(29)30)8-14(16)24(37)38/h1-8H

smiles:
O=[N+]([O-])C=1C=C(C(OC2(C=CC=CC2(OC=3C(=CC(=CC3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]


name: Dinitro-1,3-bis(2,4,6-trinitrophenoxy)benzene
cas: 94248-51-8
dtxsid: DTXSID20915889
formula: C18H16N8O18
inchikey: UKKQNFVLLOXCOY-UHFFFAOYSA-N
norman_susdat_id: NS00066544
pubchem_cid: NA
inchi:
InChI=1/C18H8N8O18/c27-19(28)8-4-10(21(31)32)15(11(5-8)22(33)34)43-14-2-1-3-18(26(41)42,17(14)25(39)40)44-16-12(23(35)36)6-9(20(29)30)7-13(16)24(37)38/h1-7,17H

smiles:
O=[N+]([O-])C=1C=C(C(OC2=CC=CC(OC=3C(=CC(=CC3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])C2[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]


cas: 94248-54-1
dtxsid: DTXSID40915886
formula: C39H42N3O6S2
inchikey: WMZVCHUUJIMMPH-UHFFFAOYSA-N
norman_susdat_id: NS00065540
pubchem_cid: NA
name:
Hydrogen [4-[[4-(dimethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium

inchi:
InChI=1/C39H41N3O6S2.H2/c1-5-41(27-32-11-7-9-13-37(32)49(43,44)45)35-23-17-30(18-24-35)39(29-15-21-34(22-16-29)40(3)4)31-19-25-36(26-20-31)42(6-2)28-33-12-8-10-14-38(33)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C=1C=CC=CC1CN(C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](CC=5C=CC=CC5S(=O)(=O)[O-])CC)CC


name: D-Glucitol tris(bromoacetate)
cas: 94248-55-2
chemspiderid: 21167319
dtxsid: DTXSID90241283
formula: C12H17Br3O9
inchikey: MTLASOOFKUSMEC-HBNNVMOKSA-N
norman_susdat_id: NS00040336
pubchem_cid: 44150556
smiles: OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr
inchi:
InChI=1S/C12H17Br3O9/c13-1-8(18)22-5-7(23-9(19)2-14)12(24-10(20)3-15)11(21)6(17)4-16/h6-7,11-12,16-17,21H,1-5H2/t6-,7+,11-,12-/m1/s1


name: D-Glucitol pentakis(bromoacetate)
cas: 94248-56-3
chemspiderid: 21167320
dtxsid: DTXSID50241284
formula: C16H19Br5O11
inchikey: HTDFEOMEJJBSFB-PSNKQFAISA-N
norman_susdat_id: NS00040337
pubchem_cid: 44147867
smiles: OC[C@@H](OC(=O)CBr)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr
inchi:
InChI=1S/C16H19Br5O11/c17-1-10(23)28-7-9(30-12(25)3-19)16(32-14(27)5-21)15(31-13(26)4-20)8(6-22)29-11(24)2-18/h8-9,15-16,22H,1-7H2/t8-,9+,15-,16-/m1/s1


name: D-Glucitol tetrakis(bromoacetate)
cas: 94248-58-5
chemspiderid: 21167321
dtxsid: DTXSID10241285
formula: C14H18Br4O10
inchikey: HZOMKZKBWQCUDU-QYOFDKIESA-N
norman_susdat_id: NS00040338
pubchem_cid: 44154330
smiles: OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](OC(=O)CBr)[C@H](COC(=O)CBr)OC(=O)CBr
inchi:
InChI=1S/C14H18Br4O10/c15-1-9(21)25-6-8(26-10(22)2-16)14(28-12(24)4-18)13(7(20)5-19)27-11(23)3-17/h7-8,13-14,19-20H,1-6H2/t7-,8+,13-,14-/m1/s1


name: Sodium isooctyl phthalate
cas: 94248-71-2
chemspiderid: NA
dtxsid: DTXSID20241291
formula: C16H22O4
inchikey: FBHDGNOSRSDXNN-UHFFFAOYSA-M
norman_susdat_id: NS00040340
pubchem_cid: 44152573
smiles: [Na+].CC(C)CCCCCOC(=O)C1=CC=CC=C1C([O-])=O
inchi:
InChI=1S/C16H22O4/c1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18)


name: Isohexadecyl octanoate
cas: 94248-76-7
chemspiderid: 10134169
dtxsid: DTXSID20241296
formula: C24H48O2
inchikey: GFVYDNHWTCHDSN-UHFFFAOYSA-N
norman_susdat_id: NS00040343
pubchem_cid: 11959923
smiles: CCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C24H48O2/c1-4-5-6-14-18-21-24(25)26-22-19-16-13-11-9-7-8-10-12-15-17-20-23(2)3/h23H,4-22H2,1-3H3


name: Tris(2-hydroxyethyl)-[(octadecyloxy)methyl]ammonium chloride
cas: 94248-85-8
dtxsid: DTXSID00915882
formula: C25H54NO4
inchikey: OFYTVXBZSHDWHJ-UHFFFAOYSA-M
norman_susdat_id: NS00065545
pubchem_cid: 3024152
smiles: [Cl-].OCC[N+](COCCCCCCCCCCCCCCCCCC)(CCO)CCO
inchi:
InChI=1/C25H54NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-25-26(18-21-27,19-22-28)20-23-29;/h27-29H,2-25H2,1H3;1H/q+1;/p-1


name: Dodecyl[[(2-ethylhexyl)oxy]methyl]dimethylammonium chloride
cas: 94248-86-9
dtxsid: DTXSID40915881
formula: C23H50NO
inchikey: KWAAQPHEUNGUOG-UHFFFAOYSA-M
norman_susdat_id: NS00066558
pubchem_cid: 3024154
smiles: [Cl-].O(CC(CC)CCCC)C[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C23H50NO.ClH/c1-6-9-11-12-13-14-15-16-17-18-20-24(4,5)22-25-21-23(8-3)19-10-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1


name: N,N-bis[[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]methyl]stearamide
cas: 94248-87-0
dtxsid: DTXSID80915880
formula: C32H65NO11
inchikey: XEXUZDAOYNFNDV-UHFFFAOYSA-N
norman_susdat_id: NS00065605
pubchem_cid: 3024156
smiles: O=C(N(COCC(O)COCC(O)CO)COCC(O)COCC(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H65NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(40)33(26-43-24-30(38)22-41-20-28(36)18-34)27-44-25-31(39)23-42-21-29(37)19-35/h28-31,34-39H,2-27H2,1H3


name: (3-chloro-2-hydroxypropyl)dimethyl[3-[[(octadecylamino)carbonyl]amino]propyl]ammonium chloride
cas: 94248-89-2
dtxsid: DTXSID70915879
formula: C27H57ClN3O2
inchikey: LABKLUVCGXWNBH-UHFFFAOYSA-N
norman_susdat_id: NS00065546
pubchem_cid: 3024158
smiles: [Cl-].O=C(NCCCCCCCCCCCCCCCCCC)NCCC[N+](C)(C)CC(O)CCl
inchi:
InChI=1/C27H56ClN3O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-27(33)30-22-20-23-31(2,3)25-26(32)24-28;/h26,32H,4-25H2,1-3H3,(H-,29,30,33);1H


cas: 94248-92-7
formula: C35H27N5O14S3.3Na
inchikey: LQDNEQHVPZXQCH-UHFFFAOYSA-K
norman_susdat_id: NS00092748
name:
Trisodium 4-hydroxy-3-[[4-[(2-hydroxy-7-sulphonato-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]-8-[(4-sulphonatobenzoyl)amino]naphthalene-2-sulphonate

inchi:
InChI=1/C35H27N5O14S3.3Na/c1-53-29-17-27(30(54-2)16-26(29)37-39-32-23-14-21(56(47,48)49)12-6-18(23)9-13-28(32)41)38-40-33-31(57(50,51)52)15-24-22(34(33)42)4-3-5-25(24)36-35(43)19-7-10-20(11-8-19)55(44,45)46;;;/h3-17,41-42H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].COc6cc(N=Nc1c2cc(ccc2ccc1O)S([O-])(=O)=O)c(cc6N=Nc5c(cc4c(NC(=O)c3ccc(cc3)S([O-])(=O)=O)cccc4c5O)S([O-])(=O)=O)OC


cas: 94248-96-1
formula: C56H28N4O8
inchikey: MWJFNGALQOTCDC-UHFFFAOYSA-N
norman_susdat_id: NS00065547
pubchem_cid: 57356733
name:
N,N'-(5,10,15,16,17,22,23,24-octahydro-5,10,15,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-1,14-diyl)bis(benzamide)

inchi:
InChI=1/C56H28N4O8/c61-30-19-18-27-22-34-29(20-28(27)21-30)23-37(58-56(68)26-12-5-2-6-13-26)41-43-44-42-38(62)24-35-40(52(64)32-15-8-7-14-31(32)51(35)63)48(42)60-50(44)46-45(49(43)59-47(34)41)53(65)33-16-9-17-36(39(33)54(46)66)57-55(67)25-10-3-1-4-11-25/h1-23,60H,24H2,(H,57,67)(H,58,68)

smiles:
O=C1C=CC2=CC=3C(=CC2=C1)C=C(NC(=O)C=4C=CC=CC4)C=5C3N=C6C=7C(=O)C=8C=CC=C(NC(=O)C=9C=CC=CC9)C8C(=O)C7C=%10NC=%11C=%12C(=O)C=%13C=CC=CC%13C(=O)C%12CC(=O)C%11C%10C65


name: (9S)-9-hydroxy-6'-methoxycinchonanium thiocyanate
cas: 94248-97-2
formula: C20H24N2O2.CHNS
inchikey: UEAGLYAZUNBAOV-VJAUXQICSA-N
norman_susdat_id: NS00093057
smiles: COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[S-]C#N
inchi:
InChI=1/C20H24N2O2.CHNS/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H


name: N-[6-[2-(5-nitro-2-furyl)vinyl]pyridazin-3-yl]acetamide monohydrochloride
cas: 94248-98-3
formula: C12H11N4O4
inchikey: NJCILZCTUYOPQD-VEELZWTKSA-N
norman_susdat_id: NS00065548
pubchem_cid: NA
smiles: Cl.O=C(NC1=NN=C(C=CC=2OC(=CC2)[N+](=O)[O-])C=C1)C
inchi:
InChI=1/C12H10N4O4.ClH/c1-8(17)13-11-6-3-9(14-15-11)2-4-10-5-7-12(20-10)16(18)19;/h2-7H,1H3,(H,13,15,17);1H


name: Pf-03814735
cas: 942487-16-3
formula: C23H25F3N6O2
inchikey: RYYNGWLOYLRZLK-RBUKOAKNSA-N
norman_susdat_id: NS00072539
pubchem_cid: 51346455
smiles: CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12
inchi:
InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1


name: [2-[(a-o-tolylbenzyl)oxy]ethyl]dimethylammonium hexadecyl sulphate
cas: 94249-00-0
formula: C18H23NO.C16H34O4S
inchikey: YHELGDAPVZOPJE-UHFFFAOYSA-N
norman_susdat_id: NS00092749
smiles: CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2C
inchi:
InChI=1/C18H23NO.C16H34O4S/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h4-12,18H,13-14H2,1-3H3;2-16H2,1H3,(H,17,18,19)


name: Ethyl 2-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]-3-oxobutyrate
cas: 94249-02-2
formula: C20H22N4O3
inchikey: NWIMPHFBTOXJHN-UHFFFAOYSA-N
norman_susdat_id: NS00065550
pubchem_cid: 3024168
smiles: O=C(OCC)C(N=NC1=CC=C(N=NC=2C=CC=CC2C)C=C1C)C(=O)C
inchi:
InChI=1/C20H22N4O3/c1-5-27-20(26)19(15(4)25)24-23-18-11-10-16(12-14(18)3)21-22-17-9-7-6-8-13(17)2/h6-12,19H,5H2,1-4H3


name: 2,2'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[N-(4-chlorophenyl)-3-oxobutyramide]
cas: 94249-03-3
dtxsid: DTXSID90915876
formula: C32H26Cl2N6O4
inchikey: UPSAJZSSQKUOAT-UHFFFAOYSA-N
norman_susdat_id: NS00066559
pubchem_cid: 57356734
smiles: O=C(NC1=CC=C(Cl)C=C1)C(N=NC=2C=CC(=CC2)C3=CC=C(N=NC(C(=O)NC4=CC=C(Cl)C=C4)C(=O)C)C=C3)C(=O)C
inchi:
InChI=1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-25-15-7-23(33)8-16-25)39-37-27-11-3-21(4-12-27)22-5-13-28(14-6-22)38-40-30(20(2)42)32(44)36-26-17-9-24(34)10-18-26/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)


name: Ammonium 4-[benzylamino]benzenesulphonate
cas: 94249-07-7
formula: C13H13NO3S.H3N
inchikey: HPDYXWAVGFFSEJ-UHFFFAOYSA-N
norman_susdat_id: NS00092754
smiles: [NH4+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1
inchi:
InChI=1/C13H13NO3S.H3N/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,15,16,17);1H3


name: Bis(2-hydroxyethyl)(2-hydroxyoctyl)methylammonium toluene-p-sulphonate
cas: 94249-09-9
formula: C13H30NO3.C7H7O3S
inchikey: HAGDDOULRGYHOL-UHFFFAOYSA-M
norman_susdat_id: NS00092755
smiles: CCCCCCC(O)C[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C13H30NO3.C7H8O3S/c1-3-4-5-6-7-13(17)12-14(2,8-10-15)9-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h13,15-17H,3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: (2-hydroxydodecyl)bis(2-hydroxyethyl)methylammonium toluene-p-sulphonate
cas: 94249-11-3
dtxsid: DTXSID10915873
formula: C17H38NO3
inchikey: FAZMONYZHWAWSQ-UHFFFAOYSA-M
norman_susdat_id: NS00066569
pubchem_cid: 71300546
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OCC[N+](C)(CCO)CC(O)CCCCCCCCCC
inchi:
InChI=1/C17H38NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-17(21)16-18(2,12-14-19)13-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-21H,3-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Bis(2-hydroxyethyl)(2-hydroxyoctadecyl)methylammonium toluene-p-sulphonate
cas: 94249-13-5
dtxsid: DTXSID50915872
formula: C23H50NO3
inchikey: DIHMWNCOPZUFER-UHFFFAOYSA-M
norman_susdat_id: NS00066570
pubchem_cid: 71300547
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OCC[N+](C)(CCO)CC(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H50NO3.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)22-24(2,18-20-25)19-21-26;1-6-2-4-7(5-3-6)11(8,9)10/h23,25-27H,3-22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 94249-17-9
formula: C34H30N4O16S5
inchikey: YHNAOWQQZRUAAJ-UHFFFAOYSA-K
norman_susdat_id: NS00065587
pubchem_cid: NA
name:
Trisodium 4-hydroxy-5-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-3-[[4-[[1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H30N4O16S5.3Na/c39-30(13-15-55(42,43)23-7-3-1-4-8-23)35-22-11-12-26(28(19-22)58(49,50)51)37-38-33-29(59(52,53)54)18-21-17-25(57(46,47)48)20-27(32(21)34(33)41)36-31(40)14-16-56(44,45)24-9-5-2-6-10-24;;;/h1-12,17-20,41H,13-16H2,(H,35,39)(H,36,40)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C(C=C(C=C3NC(=O)CCS(=O)(=O)C=4C=CC=CC4)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])CCS(=O)(=O)C=5C=CC=CC5


cas: 94249-18-0
dtxsid: DTXSID60915868
formula: C34H27N9O11S3
inchikey: OFZZVFUDMGQBEL-UHFFFAOYSA-K
norman_susdat_id: NS00066572
pubchem_cid: 135854043
name:
Trisodium 4-amino-3-[[4-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N9O11S3.3Na/c35-19-6-12-24(26(44)16-19)41-38-22-9-7-20(8-10-22)37-25-13-11-23(17-27(25)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-21-4-2-1-3-5-21;;;/h1-17,37,44-45H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(N)C=C5O)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 94249-21-5
formula: C22H23N3O12S4
inchikey: DPSGNCQDSZOAKL-UHFFFAOYSA-L
norman_susdat_id: NS00066087
pubchem_cid: 3024173
name:
Potassium sodium 6-(acetylamino)-3-[[2,5-dimethoxy-4-[[2-(sulphonatothio)ethyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C22H23N3O12S4.K.Na/c1-12(26)23-14-5-4-13-8-20(40(30,31)32)21(22(27)15(13)9-14)25-24-16-10-18(37-3)19(11-17(16)36-2)39(28,29)7-6-38-41(33,34)35;;/h4-5,8-11,27H,6-7H2,1-3H3,(H,23,26)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[K+].O=C(NC=1C=CC2=CC(=C(N=NC=3C=C(OC)C(=CC3OC)S(=O)(=O)CCSS(=O)(=O)[O-])C(O)=C2C1)S(=O)(=O)[O-])C


name: Icosyl hydrogen sulphate, compound with 2,2'-iminodiethanol (1:1)
cas: 94265-93-7
formula: C20H42O4S.C4H11NO2
inchikey: SJRJJGIFVVBRHD-UHFFFAOYSA-N
norman_susdat_id: NS00092769
smiles: CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCNCCO
inchi:
InChI=1/C20H42O4S.C4H11NO2/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;6-3-1-5-2-4-7/h2-20H2,1H3,(H,21,22,23);5-7H,1-4H2


name: (2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium hydrogen sulphate
cas: 94265-94-8
formula: C43H86NO5.1/2O4S
inchikey: YIFPHAOKONIWAE-UHFFFAOYSA-L
norman_susdat_id: NS00092770
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C43H86NO5.H2O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h45H,4-41H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2


cas: 94266-02-1
formula: C21H18N4O8S2.2K
inchikey: VNXBSBGKQQLIQH-UHFFFAOYSA-L
norman_susdat_id: NS00092781
smiles: [K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O
name:
Dipotassium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C21H18N4O8S2.2K/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: tert-butyl ethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 94266-04-3
dtxsid: DTXSID90915856
formula: C19H31NO4
inchikey: PRGMGHRCXVBSGZ-UHFFFAOYSA-N
norman_susdat_id: NS00065802
pubchem_cid: 216400
smiles: O=C(OCC)C1=C(NC(=C(C(=O)OC(C)(C)C)C1CCCC)C)C
inchi:
InChI=1/C19H31NO4/c1-8-10-11-14-15(17(21)23-9-2)12(3)20-13(4)16(14)18(22)24-19(5,6)7/h14,20H,8-11H2,1-7H3


name: tert-butyl ethyl 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
cas: 94266-05-4
dtxsid: DTXSID30915855
formula: C18H29NO4
inchikey: FYIUEUSBPGCPDI-UHFFFAOYSA-N
norman_susdat_id: NS00065803
pubchem_cid: 216401
smiles: O=C(OCC)C1=C(NC(=C(C(=O)OC(C)(C)C)C1CCC)C)C
inchi:
InChI=1/C18H29NO4/c1-8-10-13-14(16(20)22-9-2)11(3)19-12(4)15(13)17(21)23-18(5,6)7/h13,19H,8-10H2,1-7H3


name: Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 94266-06-5
chemspiderid: 187577
dtxsid: DTXSID20241317
formula: C17H27N1O4
inchikey: ZGAVXRFBMMMOJP-UHFFFAOYSA-N
norman_susdat_id: NS00040350
pubchem_cid: 216402
smiles: CCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC
inchi:
InChI=1S/C17H27NO4/c1-6-9-10-13-14(16(19)21-7-2)11(4)18-12(5)15(13)17(20)22-8-3/h13,18H,6-10H2,1-5H3


name: Bis(tert-butyl) 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
cas: 94266-07-6
chemspiderid: 187578
dtxsid: DTXSID80241318
formula: C20H33N1O4
inchikey: XGZQMGKQSIMQSW-UHFFFAOYSA-N
norman_susdat_id: NS00040351
pubchem_cid: 216403
smiles: CCCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C
inchi:
InChI=1S/C20H33NO4/c1-10-11-14-15(17(22)24-19(4,5)6)12(2)21-13(3)16(14)18(23)25-20(7,8)9/h14,21H,10-11H2,1-9H3


name: Bis(tert-butyl) 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 94266-08-7
chemspiderid: 187579
dtxsid: DTXSID40241319
formula: C19H31N1O4
inchikey: ALNNWLSGANVQOZ-UHFFFAOYSA-N
norman_susdat_id: NS00040352
pubchem_cid: 216404
smiles: CCC1C(=C(C)NC(=C1C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C
inchi:
InChI=1S/C19H31NO4/c1-10-13-14(16(21)23-18(4,5)6)11(2)20-12(3)15(13)17(22)24-19(7,8)9/h13,20H,10H2,1-9H3


cas: 94266-14-5
formula: C21H21N3O4S.H3N
inchikey: IIKXOIFBLJKRKW-UHFFFAOYSA-N
norman_susdat_id: NS00092633
smiles: [NH4+].CN(C)c1ccc(cc1)C=CC=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O
name:
Ammonium 4-[4-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C21H21N3O4S.H3N/c1-15-20(6-4-5-16-7-9-17(10-8-16)23(2)3)21(25)24(22-15)18-11-13-19(14-12-18)29(26,27)28;/h4-14H,1-3H3,(H,26,27,28);1H3


name: EINECS 304-420-8
cas: 94266-15-6
chemspiderid: 187580
dtxsid: DTXSID50241320
formula: C62H70N4O2
inchikey: NACLRLKJUHDKIR-UHFFFAOYSA-N
norman_susdat_id: NS00040353
pubchem_cid: 216411
inchi:
InChI=1S/C62H70N4O2/c1-3-5-7-9-11-13-15-33-47-67-55-45-31-29-43-53(55)61-63-59(51-39-25-19-26-40-51)60(52-41-27-20-28-42-52)66(61)62(54-44-30-32-46-56(54)68-48-34-16-14-12-10-8-6-4-2)64-57(49-35-21-17-22-36-49)58(65-62)50-37-23-18-24-38-50/h17-32,35-46H,3-16,33-34,47-48H2,1-2H3

smiles:
CCCCCCCCCCOc1c(cccc1)c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1c(OCCCCCCCCCC)cccc1)c1ccccc1)c1ccccc1


name: Cobalt(2+) potassium 2-hydroxypropane-1,2,3-tricarboxylate
cas: 94266-16-7
formula: C6H8O7.xCo.xK
inchikey: WSBSFRLACYCACI-UHFFFAOYSA-K
norman_susdat_id: NS00092634
smiles: [K+].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Co.K/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);;/q;+2;+1/p-3


name: N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamide
cas: 94266-17-8
chemspiderid: 187582
dtxsid: DTXSID70241322
formula: C16H26N2O1
inchikey: ZETWQXPEVKRTDM-UHFFFAOYSA-N
norman_susdat_id: NS00040354
pubchem_cid: 216413
smiles: CC1=CC(=CC(C)=C1CC(=O)NCCN)C(C)(C)C
inchi:
InChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15(19)18-7-6-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)


name: N-[2-[(2-aminoethyl)amino]ethyl]stearamide hydrochloride
cas: 94266-18-9
formula: C22H45N3O.xClH
inchikey: BOBAFODJAVWYNT-UHFFFAOYSA-N
norman_susdat_id: NS00093261
smiles: Cl.CCCCCCCCCCCCCCCCCC(=O)NCCNCCN
inchi:
InChI=1/C22H47N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;/h24H,2-21,23H2,1H3,(H,25,26);1H


name: Sodium bis(2-ethylhexyl)dithiocarbamate
cas: 94266-20-3
dtxsid: DTXSID70915854
formula: C17H35NS2
inchikey: XXPMBGMBGWRNRH-UHFFFAOYSA-M
norman_susdat_id: NS00065364
pubchem_cid: 85733
smiles: [Na+].S=C([S-])N(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C17H35NS2.Na/c1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,19,20);/q;+1/p-1


name: 2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate
cas: 94266-25-8
dtxsid: DTXSID10915853
formula: C42H82O18
inchikey: KZTPDBZBBGWVJQ-KTKRTIGZSA-N
norman_susdat_id: NS00065366
pubchem_cid: 92036204
smiles: O=C(OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C42H82O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42(52)60-33-41(51)32-59-31-40(50)30-58-29-39(49)28-57-27-38(48)26-56-25-37(47)24-55-23-36(46)22-54-21-35(45)20-53-19-34(44)18-43/h9-10,34-41,43-51H,2-8,11-33H2,1H3


name: Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate
cas: 94266-26-9
dtxsid: DTXSID50915852
formula: C42H76O4
inchikey: BFZNCPXNOGIELB-UHFFFAOYSA-N
norman_susdat_id: NS00065367
pubchem_cid: 57356744
smiles: O=C(OC(C)C)CCCCCCCC=CC1C(C=CC(CCCCCC)C1CCCCCC)CCCCCCCC(=O)OC(C)C
inchi:
InChI=1/C42H76O4/c1-7-9-11-21-27-37-33-34-38(28-22-17-16-20-26-32-42(44)46-36(5)6)40(39(37)29-23-12-10-8-2)30-24-18-14-13-15-19-25-31-41(43)45-35(3)4/h24,30,33-40H,7-23,25-29,31-32H2,1-6H3


name: 5-[[bis(2-hydroxyethyl)amino]carbonyl]-4-hexyl-N,N-bis(2-hydroxyethyl)cyclohex-2-ene-1-octanamide
cas: 94266-28-1
formula: C29H54N2O6
inchikey: FAWNXBJWLYWEAG-UHFFFAOYSA-N
norman_susdat_id: NS00065359
pubchem_cid: 57356745
smiles: O=C(N(CCO)CCO)CCCCCCCC1C=CC(CCCCCC)C(C(=O)N(CCO)CCO)C1
inchi:
InChI=1/C29H54N2O6/c1-2-3-4-9-12-26-15-14-25(24-27(26)29(37)31(18-22-34)19-23-35)11-8-6-5-7-10-13-28(36)30(16-20-32)17-21-33/h14-15,25-27,32-35H,2-13,16-24H2,1H3


name: Lead icosanoate (1:2)
cas: 94266-31-6
formula: C20H40O2.1/2Pb
inchikey: IMGCFEAIPPYFGB-UHFFFAOYSA-L
norman_susdat_id: NS00092918
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C20H40O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;/h2*2-19H2,1H3,(H,21,22);;;/q;;+4;;/p-2/r2C20H40O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);1H2/q;;+4/p-2


name: Lead icosanoate
cas: 94266-32-7
formula: C20H40O2.xPb
inchikey: OEPTXTAZAJKXFQ-UHFFFAOYSA-N
norman_susdat_id: NS00092931
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H40O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;/h2-19H2,1H3,(H,21,22);;;/q;+4;;/rC20H40O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);1H2/q;+4


name: Ammonium icosanoate
cas: 94266-33-8
formula: C20H40O2.H3N
inchikey: BRMYKYSLVRPXIO-UHFFFAOYSA-N
norman_susdat_id: NS00092671
smiles: [NH4+].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);1H3


name: Magnesium heptadecanoate
cas: 94266-34-9
formula: C17H34O2.1/2Mg
inchikey: ZHRNOJNAACVXGA-UHFFFAOYSA-L
norman_susdat_id: NS00092672
smiles: [Mg+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C17H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2


name: Strontium heptadecanoate
cas: 94266-35-0
formula: C17H34O2.1/2Sr
inchikey: MCUFLVMJUPOHHG-UHFFFAOYSA-L
norman_susdat_id: NS00092647
smiles: [Sr+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C17H34O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2


name: Ammonium heptadecanoate
cas: 94266-36-1
formula: C17H34O2.H3N
inchi: InChI=1/7C10H20O2.7H3N/c7*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;/h7*2-9H2,1H3,(H,11,12);7*1H3
inchikey: BTFYVDYVNFAKFU-UHFFFAOYSA-N
norman_susdat_id: NS00092932
smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-]


name: Aluminium heptadecanoate
cas: 94266-37-2
formula: C17H34O2.1/3Al
inchikey: IVBDXIGKGSOAPT-UHFFFAOYSA-K
norman_susdat_id: NS00093266
smiles: [Al+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C17H34O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h3*2-16H2,1H3,(H,18,19);/q;;;+3/p-3


name: Icosyl hydrogen sulphate, compound with 2-aminoethanol (1:1)
cas: 94266-41-8
formula: C20H42O4S.C2H7NO
inchikey: JAIUKPVVQIRETJ-UHFFFAOYSA-N
norman_susdat_id: NS00092673
smiles: CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.NCCO
inchi:
InChI=1/C20H42O4S.C2H7NO/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;3-1-2-4/h2-20H2,1H3,(H,21,22,23);4H,1-3H2


name: L-arginine mono[(S)-4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-a-methylbenzeneacetate]
cas: 94266-49-6
formula: C17H15NO3.C6H14N4O2
inchikey: YFPJISRTMKXOTD-VXWROMGTSA-N
norman_susdat_id: NS00092933
smiles: C[C@H](C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C17H15NO3.C6H14N4O2/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;7-4(5(11)12)2-1-3-10-6(8)9/h2-9,11H,10H2,1H3,(H,20,21);4H,1-3,7H2,(H,11,12)(H4,8,9,10)


name: N,N-BIS(2-ETHYLHEXYL)-AR-METHYL-1H- BENZOTRIAZOLE-1-METHANAMINE
cas: 94270-86-7
chemspiderid: 2300803
formula: C24H42N4
inchikey: DHTAIMJOUCYGOL-UHFFFAOYSA-N
norman_susdat_id: NS00019503
pubchem_cid: 3036907
smiles: CCCCC(CC)CN(CC(CC)CCCC)Cn1c2cccc(c2nn1)C
inchi:
InChI=1S/C24H42N4/c1-6-10-14-21(8-3)17-27(18-22(9-4)15-11-7-2)19-28-23-16-12-13-20(5)24(23)25-26-28/h12-13,16,21-22H,6-11,14-15,17-19H2,1-5H3/t21-,22-/m1/s1


name: Lithium tris(1-methylethyl)naphthalenesulphonate
cas: 94275-81-7
formula: C19H26O3S.Li
inchikey: QOAXBEFVRXXVJR-UHFFFAOYSA-M
norman_susdat_id: NS00092674
smiles: [Li+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C19H26O3S.Li/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1


name: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium acetate
cas: 94275-84-0
formula: C22H24N3O2.C2H3O2
inchikey: OJYHUYVGRHYUMZ-UHFFFAOYSA-N
norman_susdat_id: NS00092675
smiles: CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.CC(=O)[O-]
inchi:
InChI=1/C22H25N3O2.C2H4O2/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-2(3)4/h7-14,21H,5-6H2,1-4H3;1H3,(H,3,4)


name: Calcium hydrogen 3,4,5,6-tetrachlorophthalate
cas: 94275-90-8
dtxsid: DTXSID90241349
formula: C8H5ClO3
inchi: InChI=1/4C8H5ClO3.Ca.H2/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h4*1-4H,(H,11,12);;1H/q;;;;+2;+1/p-4
inchikey: WKTOSYYHOIXZAM-UHFFFAOYSA-K
norman_susdat_id: NS00065402
pubchem_cid: 12500664
smiles:
[H+].[Ca+2].O=C([O-])C=1C=CC=CC1C(=O)Cl.O=C([O-])C=1C=CC=CC1C(=O)Cl.O=C([O-])C=1C=CC=CC1C(=O)Cl.O=C([O-])C=1C=CC=CC1C(=O)Cl


name: Strontium hydrogen 3,4,5,6-tetrachlorophthalate (1:2)
cas: 94275-91-9
formula: C8H2Cl4O4.1/2Sr
inchikey: CGQZELLHPUQDHO-UHFFFAOYSA-L
norman_susdat_id: NS00093281
smiles: [SrH2].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]
inchi:
InChI=1/C8H2Cl4O4.Sr.2H/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;/h(H,13,14)(H,15,16);;;/q;+2;;/p-2/rC8H2Cl4O4.H2Sr/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h(H,13,14)(H,15,16);1H2/q;+2/p-2


name: N-(2,5-Dihydro-2-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)decan-1-amide
cas: 94276-02-5
chemspiderid: 10144743
dtxsid: DTXSID40241354
formula: C18H26N4O1S1
inchikey: NYAPNLOFIICOGE-UHFFFAOYSA-N
norman_susdat_id: NS00040358
pubchem_cid: 11971362
smiles: CCCCCCCCCC(=O)Nc1nc(=S)[nH]n1c1ccccc1
inchi:
InChI=1S/C18H26N4OS/c1-2-3-4-5-6-7-11-14-16(23)19-17-20-18(24)21-22(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H2,19,20,21,23,24)


name: Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate
cas: 94276-05-8
formula: C14H10N2O4S2.H3N
inchikey: PGSXLOPFPCVYCJ-UHFFFAOYSA-N
norman_susdat_id: NS00092951
smiles: [NH4+].[O-]S(=O)(=O)c1ccc(cc1)N2C(=S)Nc3ccccc3C2=O
inchi:
InChI=1/C14H10N2O4S2.H3N/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20;/h1-8H,(H,15,21)(H,18,19,20);1H3


name: (p-chlorobenzyl)bis[2-(2-cyanoethoxy)ethyl]methylammonium bromide
cas: 94276-06-9
dtxsid: DTXSID00915842
formula: C18H25ClN3O2
inchikey: RYJQZNNFRQRMLE-UHFFFAOYSA-M
norman_susdat_id: NS00065866
pubchem_cid: 21149836
smiles: [Br-].N#CCCOCC[N+](C)(CC1=CC=C(Cl)C=C1)CCOCCC#N
inchi:
InChI=1/C18H25ClN3O2.BrH/c1-22(10-14-23-12-2-8-20,11-15-24-13-3-9-21)16-17-4-6-18(19)7-5-17;/h4-7H,2-3,10-16H2,1H3;1H/q+1;/p-1


name: 4-[(2,4-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
cas: 94276-08-1
formula: C24H17Cl2N3O2
inchikey: SLPRWGABVRKMBE-UHFFFAOYSA-N
norman_susdat_id: NS00065403
pubchem_cid: 3024194
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4Cl)=C2O
inchi:
InChI=1/C24H17Cl2N3O2/c1-14-6-2-5-9-20(14)27-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)29-28-21-11-10-16(25)13-19(21)26/h2-13,30H,1H3,(H,27,31)


name: 5-methoxy-4-methyl-2-[[4-nitro-2-(phenylsulphonyl)phenyl]azo]benzenediazonium hydrogen sulphate
cas: 94276-10-5
dtxsid: DTXSID80241358
formula: C20H17N5O5S
inchikey: QQYUAESMTJXEPV-UHFFFAOYSA-M
norman_susdat_id: NS00065867
pubchem_cid: NA
smiles: [H+].N#[N+]C=1C=C(OC)C(=CC1N=NC2=CC=C(C=C2S(=O)(=O)C=3C=CC=CC3)[N+](=O)[O-])C.O=S(=O)([O-])[O-]
inchi:
InChI=1/C20H16N5O5S.H2O4S.H2/c1-13-10-18(17(22-21)12-19(13)30-2)24-23-16-9-8-14(25(26)27)11-20(16)31(28,29)15-6-4-3-5-7-15;1-5(2,3)4;/h3-12H,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 2-chloro-4-[(3-nitrophenyl)azo]benzenediazonium sulphate (1:1)
cas: 94276-12-7
dtxsid: DTXSID40915841
formula: C12H8ClN5O2
inchikey: XRRAQYRLBWIDNQ-UHFFFAOYSA-L
norman_susdat_id: NS00066485
pubchem_cid: NA
smiles: N#[N+]C1=CC=C(N=NC2=CC=CC(=C2)[N+](=O)[O-])C=C1Cl.O=S(=O)([O-])[O-]
inchi:
InChI=1/C12H7ClN5O2.H2O4S/c13-11-7-9(4-5-12(11)15-14)17-16-8-2-1-3-10(6-8)18(19)20;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-2


name: 2-[(2-chloro-4-nitrophenyl)azo]-5-methoxy-4-methylbenzenediazonium hydrogen sulphate
cas: 94276-13-8
formula: C14H11ClN5O3.HO4S
inchikey: WXBMCJBSNCZTIW-UHFFFAOYSA-M
norman_susdat_id: NS00092952
smiles: [H+].Clc2cc(ccc2N=Nc1cc(C)c(OC)cc1[N+]#N)[N+]([O-])=O.[O-]S([O-])(=O)=O
inchi:
InChI=1/C14H11ClN5O3.H2O4S.H2/c1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;1-5(2,3)4;/h3-7H,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 3-chlorobenzenediazonium naphthalene-1,5-disulphonate (1:1)
cas: 94276-14-9
formula: C10H7O6S2.C6H4ClN2
inchikey: WEUAMUUXTMDEKP-UHFFFAOYSA-L
norman_susdat_id: NS00093282
smiles: [O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].Clc3cccc(c3)[N+]#N
inchi:
InChI=1/C10H8O6S2.C6H4ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;7-5-2-1-3-6(4-5)9-8/h1-6H,(H,11,12,13)(H,14,15,16);1-4H/q;+1/p-2


name: 5-chloro-2-methylbenzenediazonium naphthalene-1,5-disulphonate (2:1)
cas: 94276-15-0
formula: C10H6O6S2.2C7H6ClN2
inchikey: RKYOJPJSEVANLF-UHFFFAOYSA-L
norman_susdat_id: NS00093283
smiles: Cc1ccc(Cl)cc1[N+]#N.Cc2ccc(Cl)cc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.2C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2


name: 3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium thiocyanate
cas: 94276-17-2
formula: C21H31ClN5.CNS
inchikey: NWDJSTAZDMHVEI-UHFFFAOYSA-M
norman_susdat_id: NS00092953
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[S-]C#N
inchi:
InChI=1/C21H31ClN5.CHNS/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;2-1-3/h8-13,16H,7,14-15H2,1-6H3;3H/q+1;/p-1


name: 2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] dithiocyanate
cas: 94276-18-3
dtxsid: DTXSID50241360
formula: C26H32N8O2S2
inchikey: LDIRDPIQHVSRBU-UHFFFAOYSA-N
norman_susdat_id: NS00065375
pubchem_cid: 57356758
smiles: N#C[S-].N#C[S-].N(=NC=1SC=C[N+]1C)C2=CC=C(NCCNC3=CC=C(N=NC=4SC=C[N+]4C)C=C3OCC)C(OCC)=C2
inchi:
InChI=1/C26H30N8O2S2.2CHNS/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;2*2-1-3/h7-10,13-18H,5-6,11-12H2,1-4H3;2*3H


name: 2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] diacetate
cas: 94276-19-4
formula: C26H32N8O2S2.2C2H3O2
inchikey: QKNWCLDXYWDEPD-UHFFFAOYSA-N
norman_susdat_id: NS00093284
smiles: [O-]C(C)=O.[O-]C(C)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3
inchi:
InChI=1/C26H30N8O2S2.2C2H4O2/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;2*1-2(3)4/h7-10,13-18H,5-6,11-12H2,1-4H3;2*1H3,(H,3,4)


name: Ethyl 3-(diethylamino)-4-((3-pyridylcarbonyl)amino)benzoate monohydrochloride
cas: 94276-20-7
chemspiderid: 2290174
dtxsid: DTXSID70241362
formula: C19H23N3O3
inchikey: HKXWNIBWJHCUFY-UHFFFAOYSA-N
norman_susdat_id: NS00040359
pubchem_cid: 91981029
smiles: Cl.CCOC(=O)c1cc(N(CC)CC)c(NC(=O)c2cccnc2)cc1
inchi:
InChI=1S/C19H23N3O3/c1-4-22(5-2)17-12-14(19(24)25-6-3)9-10-16(17)21-18(23)15-8-7-11-20-13-15/h7-13H,4-6H2,1-3H3,(H,21,23)


name: Magnesium tributoxyoxotitanate(2-)
cas: 94276-50-3
formula: C12H27O4Ti.1/2Mg
inchikey: OINNYYWXIXQSOS-UHFFFAOYSA-N
norman_susdat_id: NS00093292
smiles: [Mg+2].CCCCO[Ti-2](=O)(OCCCC)OCCCC
inchi:
InChI=1/3C4H9O.Mg.O.Ti/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;+2;;+1/rC12H27O4Ti.Mg/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h4-12H2,1-3H3;/q-2;+2


name: Magnesium tributoxyoxotitanate(1-) tributoxyoxozirconate(1-)
cas: 94276-53-6
formula: C12H27O4Ti.C12H27O4Zr.Mg
inchikey: WSIRYQNAXWSCIL-UHFFFAOYSA-N
norman_susdat_id: NS00093293
smiles: [Mg+2].CCCCO[Ti-](=O)(OCCCC)OCCCC.CCCCO[Zr-](=O)(OCCCC)OCCCC
inchi:
InChI=1/6C4H9O.Mg.2O.Ti.Zr/c6*1-2-3-4-5;;;;;/h6*2-4H2,1H3;;;;;/q6*-1;+2;;;2*+2/rC12H27O4Ti.C12H27O4Zr.Mg/c2*1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3;/h2*4-12H2,1-3H3;/q2*-1;+2


cas: 94276-90-1
formula: C32H30ClN2.Cl3Zn
inchikey: VTJADDNTFFSOLY-UHFFFAOYSA-K
norman_susdat_id: NS00092597
smiles: CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.Cl[Zn-](Cl)Cl
name:
[4-[(o-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium trichlorozincate(1-)

inchi:
InChI=1/C32H30ClN2.3ClH.Zn/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;;;;/h6-22H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC32H30ClN2.Cl3Zn/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;1-4(2)3/h6-22H,4-5H2,1-3H3;/q+1;-1


name: 4-(benzoylamino)-5-chloro-2-methylbenzenediazonium tetrachlorozincate (2:1)
cas: 94276-93-4
dtxsid: DTXSID50241365
formula: C14H11ClN3O
inchikey: XFYAHHOQUQYNFU-UHFFFAOYSA-L
norman_susdat_id: NS00066435
pubchem_cid: 21424294
inchi:
InChI=1/2C14H10ClN3O.4ClH.Zn/c2*1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;;;;;/h2*2-8H,1H3;4*1H;/q;;;;;;+2/p-2/r2C14H10ClN3O.Cl4Zn/c2*1-9-7-13(11(15)8-12(9)18-16)17-14(19)10-5-3-2-4-6-10;1-5(2,3)4/h2*2-8H,1H3;/q;;-2/p+2

smiles:
N#[N+]C1=CC(Cl)=C(C=C1C)NC(=O)C=2C=CC=CC2.N#[N+]C1=CC(Cl)=C(C=C1C)NC(=O)C=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: Bis(2-hydroxy-1-methylethyl)methyl(octadecyl)ammonium methyl sulphate
cas: 94276-97-8
dtxsid: DTXSID80915820
formula: C25H53NO2
inchikey: DQPJIGUURRWRDZ-UHFFFAOYSA-N
norman_susdat_id: NS00065289
pubchem_cid: 3024197
smiles: O=S(=O)([O-])OC.OCC(C)C([NH2+]CCCCCCCCCCCCCCCCCC)C(C)CO
inchi:
InChI=1/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(23(2)21-27)24(3)22-28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)


cas: 94276-98-9
formula: C25H31N6O9
inchikey: GGCRADARBDTZLF-UHFFFAOYSA-N
norman_susdat_id: NS00065736
pubchem_cid: 3024199
smiles: N#CC=1C=C(C=C(C1N=NC=2C=C(OCC)C(=CC2NC(=O)C)N(CCO)CCO)[N+](=O)[O-])C(=O)OCCOC
name:
2-methoxyethyl 4-[[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]azo]-3-cyano-5-nitrobenzoate

inchi:
InChI=1/C25H30N6O9/c1-4-39-23-14-20(19(27-16(2)34)13-21(23)30(5-7-32)6-8-33)28-29-24-18(15-26)11-17(12-22(24)31(36)37)25(35)40-10-9-38-3/h11-14,32-33H,4-10H2,1-3H3,(H,27,34)


cas: 94276-99-0
formula: C48H39N13O15S3
inchikey: VBPANTBQTBMPKM-UHFFFAOYSA-I
norman_susdat_id: NS00065290
pubchem_cid: NA
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]-3-sulfophenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]phenyl]-, pentasodium salt

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

smiles:
[Na+].[Na+].[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=C5S(=O)(=O)[O-])=C(O)C3=C2)S(=O)(=O)[O-])C(N)=C1


name: N-(4-methylphenyl)-9-octadecenamide
cas: 94277-00-6
formula: C25H41NO
inchikey: JSQIOYSODBIFTK-UHFFFAOYSA-N
norman_susdat_id: NS00066436
pubchem_cid: 3024200
smiles: O=C(NC1=CC=C(C=C1)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-24-21-19-23(2)20-22-24/h10-11,19-22H,3-9,12-18H2,1-2H3,(H,26,27)


cas: 94277-01-7
chemspiderid: 21167374
dtxsid: DTXSID10241366
formula: C72H38N4O8
inchikey: KZTFBLPWSIOOKX-UHFFFAOYSA-N
norman_susdat_id: NS00040360
pubchem_cid: 102057150
name:
N,N'-((5,13-Dihydro-5,13-dioxoaceanthryleno(2,1-a)aceanthrylene-6,14-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)))bis(benzamide)

inchi:
InChI=1S/C72H38N4O8/c77-65-39-21-9-7-19-37(39)57-60-42-32-34-52(74-48-28-12-24-44-54(48)68(80)46-26-14-30-50(56(46)70(44)82)76-72(84)36-17-5-2-6-18-36)64-62(42)58(38-20-8-10-22-40(38)66(64)78)59(60)41-31-33-51(63(65)61(41)57)73-47-27-11-23-43-53(47)67(79)45-25-13-29-49(55(45)69(43)81)75-71(83)35-15-3-1-4-16-35/h1-34,73-74H,(H,75,83)(H,76,84)

smiles:
O=C(NC1=CC=CC2=C1C(=O)C1=C(C(NC3=C4C5=C(C=C3)C3=C6C7=C(C=CC(NC8=CC=CC9=C8C(=O)C8=C(C(NC(=O)C%10=CC=CC=C%10)=CC=C8)C9=O)=C7C(=O)C7=CC=CC=C67)C3=C5C3=CC=CC=C3C4=O)=CC=C1)C2=O)C1=CC=CC=C1


name: Dihexadecenyl adipate
cas: 94277-08-4
chemspiderid: 21167376
dtxsid: DTXSID90241369
formula: C38H70O4
inchikey: ZUFSROZOUHYRBP-QUTRQNJUSA-N
norman_susdat_id: NS00040361
pubchem_cid: 71301386
smiles: CCCCCCCCCCCCCCC=COC(=O)CCCCC(=O)OC=CCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-37(39)33-29-30-34-38(40)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30,33-34H2,1-2H3/b35-31+,36-32+


name: 2-decyltetradecyl octanoate
cas: 94277-29-9
dtxsid: DTXSID90915816
formula: C32H64O2
inchikey: FNKSKKWQOFTCEG-UHFFFAOYSA-N
norman_susdat_id: NS00065770
pubchem_cid: 3024202
smiles: O=C(OCC(CCCCCCCCCC)CCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C32H64O2/c1-4-7-10-13-15-17-18-20-23-25-28-31(27-24-22-19-16-14-11-8-5-2)30-34-32(33)29-26-21-12-9-6-3/h31H,4-30H2,1-3H3


name: 2-dodecylhexadecyl octanoate
cas: 94277-30-2
dtxsid: DTXSID30915815
formula: C36H72O2
inchikey: PYPZOHGTMJFJCP-UHFFFAOYSA-N
norman_susdat_id: NS00065285
pubchem_cid: 3024203
smiles: O=C(OCC(CCCCCCCCCCCC)CCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C36H72O2/c1-4-7-10-13-15-17-19-20-22-24-27-29-32-35(34-38-36(37)33-30-25-12-9-6-3)31-28-26-23-21-18-16-14-11-8-5-2/h35H,4-34H2,1-3H3


name: 2-octyldodecyl octanoate
cas: 94277-31-3
dtxsid: DTXSID70915814
formula: C28H56O2
inchikey: BQICHPILIPUDHG-UHFFFAOYSA-N
norman_susdat_id: NS00065286
pubchem_cid: 3024204
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C28H56O2/c1-4-7-10-13-15-16-19-21-24-27(23-20-18-14-11-8-5-2)26-30-28(29)25-22-17-12-9-6-3/h27H,4-26H2,1-3H3


name: Sodium bis(2-hydroxyhexadecyl) phosphate
cas: 94277-32-4
formula: C32H67O6P.Na
inchikey: VDHLWCWZVFZQLZ-UHFFFAOYSA-M
norman_susdat_id: NS00092622
smiles: [Na+].CCCCCCCCCCCCCCC(O)COP(=O)([O-])OCC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C32H67O6P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-34H,3-30H2,1-2H3,(H,35,36);/q;+1/p-1


name: 2-octyldodecyl heptanoate
cas: 94277-33-5
dtxsid: DTXSID50915812
formula: C27H54O2
inchikey: CJSAUJNKQOIYJQ-UHFFFAOYSA-N
norman_susdat_id: NS00065312
pubchem_cid: 3024206
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CCCCCC
inchi:
InChI=1/C27H54O2/c1-4-7-10-13-15-16-18-20-23-26(22-19-17-14-11-8-5-2)25-29-27(28)24-21-12-9-6-3/h26H,4-25H2,1-3H3


name: 2-hexadecylicosyl palmitate
cas: 94277-34-6
dtxsid: DTXSID90915811
formula: C52H104O2
inchikey: JXMSNIOBGKWYQZ-UHFFFAOYSA-N
norman_susdat_id: NS00066446
pubchem_cid: 3024207
smiles: O=C(OCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C52H104O2/c1-4-7-10-13-16-19-22-25-27-28-31-33-36-39-42-45-48-51(47-44-41-38-35-32-30-26-23-20-17-14-11-8-5-2)50-54-52(53)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3/h51H,4-50H2,1-3H3


name: 2-decyltetradecyl palmitate
cas: 94277-35-7
dtxsid: DTXSID30915810
formula: C40H80O2
inchikey: XCAUJCHNSFAEEJ-UHFFFAOYSA-N
norman_susdat_id: NS00065313
pubchem_cid: 3024208
smiles: O=C(OCC(CCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C40H80O2/c1-4-7-10-13-16-19-21-22-23-25-28-31-34-37-40(41)42-38-39(35-32-29-26-18-15-12-9-6-3)36-33-30-27-24-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3


name: Ethyltris(2-ethylhexyl)ammonium bromide
cas: 94277-36-8
dtxsid: DTXSID20915809
formula: C26H56N
inchikey: APBJLZJVSUMUNT-UHFFFAOYSA-M
norman_susdat_id: NS00066447
pubchem_cid: 3024209
smiles: [Br-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C26H56N.BrH/c1-8-15-18-24(11-4)21-27(14-7,22-25(12-5)19-16-9-2)23-26(13-6)20-17-10-3;/h24-26H,8-23H2,1-7H3;1H/q+1;/p-1


name: Benzyltris(2-ethylhexyl)ammonium bromide
cas: 94277-37-9
dtxsid: DTXSID60915808
formula: C31H58N
inchikey: IZSAOSUADAKHSW-UHFFFAOYSA-M
norman_susdat_id: NS00065314
pubchem_cid: 3024211
smiles: [Br-].C=1C=CC(=CC1)C[N+](CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C31H58N.BrH/c1-7-13-19-28(10-4)24-32(25-29(11-5)20-14-8-2,26-30(12-6)21-15-9-3)27-31-22-17-16-18-23-31;/h16-18,22-23,28-30H,7-15,19-21,24-27H2,1-6H3;1H/q+1;/p-1


name: Ethylbis(2-ethylhexyl)methylammonium hydrogen sulphate
cas: 94277-39-1
dtxsid: DTXSID00915807
formula: C19H42N
inchikey: LDIXXACCXIBZDR-UHFFFAOYSA-L
norman_susdat_id: NS00065287
pubchem_cid: 21149840
smiles: O=S(=O)([O-])[O-].CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC
inchi:
InChI=1/C19H42N.H2O4S/c1-7-12-14-18(9-3)16-20(6,11-5)17-19(10-4)15-13-8-2;1-5(2,3)4/h18-19H,7-17H2,1-6H3;(H2,1,2,3,4)/q+1;/p-2


name: Ethyl ethylbis(2-ethylhexyl)methylammonium sulphate
cas: 94277-40-4
dtxsid: DTXSID40915806
formula: C19H41N
inchikey: QMZJWXJFEIXBAU-UHFFFAOYSA-N
norman_susdat_id: NS00065288
pubchem_cid: NA
smiles: O=S(=O)([O-])OCC.CCCCC(CC)CC([NH3+])(CC)CC(CC)CCCC
inchi:
InChI=1/C19H41N.C2H6O4S/c1-6-11-13-17(8-3)15-19(20,10-5)16-18(9-4)14-12-7-2;1-2-6-7(3,4)5/h17-18H,6-16,20H2,1-5H3;2H2,1H3,(H,3,4,5)


name: Ethylbis(2-ethylhexyl)methylammonium bromide
cas: 94277-41-5
formula: C19H42N.Br
inchikey: XEMCPIMRPJPXEK-UHFFFAOYSA-M
norman_susdat_id: NS00092621
smiles: [Br-].CCCCC(CC)C[N+](C)(CC)CC(CC)CCCC
inchi:
InChI=1/C19H42N.BrH/c1-7-12-14-18(9-3)16-20(6,11-5)17-19(10-4)15-13-8-2;/h18-19H,7-17H2,1-6H3;1H/q+1;/p-1


name: Benzylbis(2-ethylhexyl)methylammonium chloride
cas: 94277-42-6
formula: C24H44N.Cl
inchikey: BQQCAPXEKWTBKD-UHFFFAOYSA-M
norman_susdat_id: NS00092889
smiles: [Cl-].CCCCC(CC)C[N+](C)(CC(CC)CCCC)Cc1ccccc1
inchi:
InChI=1/C24H44N.ClH/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24;/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3;1H/q+1;/p-1


name: Benzylbis(2-ethylhexyl)methylammonium bromide
cas: 94277-43-7
dtxsid: DTXSID60915803
formula: C24H44N
inchikey: ZZYDXWLLCKSOSN-UHFFFAOYSA-M
norman_susdat_id: NS00065315
pubchem_cid: 21149843
smiles: [Br-].C=1C=CC(=CC1)C[N+](C)(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C24H44N.BrH/c1-6-10-15-22(8-3)19-25(5,20-23(9-4)16-11-7-2)21-24-17-13-12-14-18-24;/h12-14,17-18,22-23H,6-11,15-16,19-21H2,1-5H3;1H/q+1;/p-1


name: Tributylethylammonium hydrogen carbonate
cas: 94277-46-0
formula: C14H32N.CHO3
inchikey: VFJJWBQTWHPOHT-UHFFFAOYSA-L
norman_susdat_id: NS00092901
smiles: CCCC[N+](CC)(CCCC)CCCC.[O-]C(=O)[O-]
inchi:
InChI=1/C14H32N.CH2O3/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;2-1(3)4/h5-14H2,1-4H3;(H2,2,3,4)/q+1;/p-2


name: Ethyltris(2-ethylhexyl)ammonium chloride
cas: 94277-47-1
formula: C26H56N.Cl
inchikey: RHARHBAQMRERTL-UHFFFAOYSA-M
norman_susdat_id: NS00093247
smiles: [Cl-].CCCCC(CC)C[N+](CC)(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C26H56N.ClH/c1-8-15-18-24(11-4)21-27(14-7,22-25(12-5)19-16-9-2)23-26(13-6)20-17-10-3;/h24-26H,8-23H2,1-7H3;1H/q+1;/p-1


name: Tritetradecyl 2-hydroxypropane-1,2,3-tricarboxylate
cas: 94277-81-3
chemspiderid: 2290203
dtxsid: DTXSID00241375
formula: C48H92O7
inchikey: JZSVJKNORISSFL-UHFFFAOYSA-N
norman_susdat_id: NS00040362
pubchem_cid: 3024225
smiles: CCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C48H92O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-53-45(49)43-48(52,47(51)55-42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-46(50)54-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h52H,4-44H2,1-3H3


name: Tridocosyl citrate
cas: 94277-82-4
chemspiderid: 21167380
dtxsid: DTXSID60241376
formula: C72H140O7
inchikey: HITKLFKAGHPBFY-UHFFFAOYSA-N
norman_susdat_id: NS00040363
pubchem_cid: 57356768
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C72H140O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-77-69(73)67-72(76,71(75)79-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-70(74)78-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h76H,4-68H2,1-3H3


name: 1-(Butoxymethyl)-3-octadecylurea
cas: 94277-84-6
chemspiderid: 2290205
dtxsid: DTXSID20241377
formula: C24H50N2O2
inchikey: HWSGWVHMCJKESQ-UHFFFAOYSA-N
norman_susdat_id: NS00020243
pubchem_cid: 3024227
smiles: CCCCCCCCCCCCCCCCCCNC(=O)NCOCCCC
inchi:
InChI=1S/C24H50N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-23-28-22-6-4-2/h3-23H2,1-2H3,(H2,25,26,27)


name: Tripropylammonium p-toluenesulphonate
cas: 94277-85-7
formula: C9H21N.C7H8O3S
inchikey: CAHOMLASTRRCCB-UHFFFAOYSA-N
norman_susdat_id: NS00092628
smiles: CCC[NH+](CCC)CCC.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C9H21N.C7H8O3S/c1-4-7-10(8-5-2)9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)


name: Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate
cas: 94277-86-8
chemspiderid: 2290206
dtxsid: DTXSID40241379
formula: C42H28N6O14S3
inchikey: NSQSUVGLFLIZAQ-UHFFFAOYSA-N
norman_susdat_id: NS00040364
pubchem_cid: 3024228
inchi:
InChI=1S/C42H28N6O14S3/c1-2-3-4-20-59-42(52)23-21-33(60-63(53,54)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)41(62-65(57,58)37-13-7-10-29-26(37)16-19-32(48-45)40(29)51)34(22-23)61-64(55,56)36-12-6-9-28-25(36)15-18-31(47-44)39(28)50/h5-19,21-22H,2-4,20H2,1H3

smiles:
CCCCCOC(=O)c1cc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)c(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)c(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)c1


name: 6-dodecyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane
cas: 94277-90-4
dtxsid: DTXSID10241381
formula: C21H46O6Si
inchikey: OYKRJAFWJPSUCH-UHFFFAOYSA-N
norman_susdat_id: NS00066462
pubchem_cid: 53427726
smiles: O(C)CCO[Si](OCCOC)(OCCOC)CCCCCCCCCCCC
inchi:
InChI=1/C21H46O6Si/c1-5-6-7-8-9-10-11-12-13-14-21-28(25-18-15-22-2,26-19-16-23-3)27-20-17-24-4/h5-21H2,1-4H3


name: 6-(2-methoxyethoxy)-6-octadecyl-2,5,7,10-tetraoxa-6-silaundecane
cas: 94277-91-5
dtxsid: DTXSID70241382
formula: C27H58O6Si
inchikey: WDWQURYXUCLBHM-UHFFFAOYSA-N
norman_susdat_id: NS00065345
pubchem_cid: 53427672
smiles: O(C)CCO[Si](OCCOC)(OCCOC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H58O6Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34(31-24-21-28-2,32-25-22-29-3)33-26-23-30-4/h5-27H2,1-4H3


name: 3-[tris(hexyloxy)silyl]propylamine
cas: 94277-92-6
dtxsid: DTXSID30241383
formula: C21H47NO3Si
inchikey: AHGOFHPILSLAMS-UHFFFAOYSA-N
norman_susdat_id: NS00066463
pubchem_cid: 3024230
smiles: O(CCCCCC)[Si](OCCCCCC)(OCCCCCC)CCCN
inchi:
InChI=1/C21H47NO3Si/c1-4-7-10-13-18-23-26(21-16-17-22,24-19-14-11-8-5-2)25-20-15-12-9-6-3/h4-22H2,1-3H3


name: Diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate
cas: 94277-93-7
formula: C17H35NO7Si
inchikey: NJENXARIYIZSNO-HNNXBMFYSA-N
norman_susdat_id: NS00065816
pubchem_cid: 15857772
smiles: O=C(OCC)CC(NCCC[Si](OCC)(OCC)OCC)C(=O)OCC
inchi:
InChI=1/C17H35NO7Si/c1-6-21-16(19)14-15(17(20)22-7-2)18-12-11-13-26(23-8-3,24-9-4)25-10-5/h15,18H,6-14H2,1-5H3


name: Dipotassium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate
cas: 94277-94-8
formula: C8H21NO6P2.2K
inchikey: WVBWSJHNYYSQPK-UHFFFAOYSA-J
norman_susdat_id: NS00092629
smiles: [K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.2K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-4


name: Tetrapotassium [(heptylimino)bis(methylene)]bisphosphonate
cas: 94277-95-9
formula: C9H23NO6P2.4K
inchikey: HBXALUHSXSGYDT-UHFFFAOYSA-J
norman_susdat_id: NS00093251
smiles: [K+].[K+].[K+].[K+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.4K/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);;;;/q;4*+1/p-4


name: Tripotassium hydrogen [(hexylimino)bis(methylene)]bisphosphonate
cas: 94277-96-0
formula: C8H21NO6P2.3K
inchikey: WKNDOMMWXONICR-UHFFFAOYSA-J
norman_susdat_id: NS00092635
smiles: [K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.3K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-4


name: Tetrapotassium [(hexylimino)bis(methylene)]bisphosphonate
cas: 94277-97-1
formula: C8H21NO6P2.4K
inchikey: UJDLTYPTRDSPDQ-UHFFFAOYSA-J
norman_susdat_id: NS00092911
smiles: [K+].[K+].[K+].[K+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.4K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [(butylimino)bis(methylene)]bisphosphonate
cas: 94277-98-2
formula: C6H17NO6P2.2K
inchikey: INBSPTQLBUWKTK-UHFFFAOYSA-J
norman_susdat_id: NS00092758
smiles: [K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.2K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;/q;2*+1/p-4


name: Tripotassium hydrogen [(butylimino)bis(methylene)]bisphosphonate
cas: 94277-99-3
formula: C6H17NO6P2.3K
inchikey: TXIHKDNXBKFLIF-UHFFFAOYSA-J
norman_susdat_id: NS00093040
smiles: [K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.3K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-4


name: Tetrapotassium [(butylimino)bis(methylene)]bisphosphonate
cas: 94278-00-9
formula: C6H17NO6P2.4K
inchikey: CHYJCGCMZSHTCA-UHFFFAOYSA-J
norman_susdat_id: NS00093325
smiles: [K+].[K+].[K+].[K+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.4K/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94278-01-0
formula: C5H15NO6P2.2K
inchikey: DSQJVNOXKFPYOY-UHFFFAOYSA-J
norman_susdat_id: NS00092741
smiles: [K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4


name: Tripotassium hydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94278-02-1
formula: C5H15NO6P2.3K
inchikey: IMUTXRWXPZMNLJ-UHFFFAOYSA-J
norman_susdat_id: NS00092759
smiles: [K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4


name: Tetrapotassium [(propylimino)bis(methylene)]diphosphonate
cas: 94278-03-2
formula: C5H15NO6P2.4K
inchikey: VQPGDBQRFZFNKO-UHFFFAOYSA-J
norman_susdat_id: NS00092742
smiles: [K+].[K+].[K+].[K+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4K/c1-2-3-6(4-13(7,8)9)5-14(10,11)12;;;;/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4


name: Dipotassium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94278-04-3
formula: C5H15NO6P2.2K
inchikey: HTGWSGVGLHXZEK-UHFFFAOYSA-J
norman_susdat_id: NS00092760
smiles: [K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4


name: Tripotassium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94278-05-4
formula: C5H15NO6P2.3K
inchikey: LLZWDMMQGHGJOG-UHFFFAOYSA-J
norman_susdat_id: NS00092761
smiles: [K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4


name: Tetrapotassium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94278-06-5
formula: C5H15NO6P2.4K
inchikey: QMSDGXPEKHUQGY-UHFFFAOYSA-J
norman_susdat_id: NS00093041
smiles: [K+].[K+].[K+].[K+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4K/c1-5(2)6(3-13(7,8)9)4-14(10,11)12;;;;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4


name: HEXYLDECYL OLEATE
cas: 94278-07-6
chemspiderid: 4938229
formula: C34H66O2
inchikey: CKGLIVPMTMQFHL-HNENSFHCSA-N
norman_susdat_id: NS00013744
pubchem_cid: 6433037
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
inchi:
InChI=1S/C34H66O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-14-11-8-5-2/h18-19,33H,4-17,20-32H2,1-3H3/b19-18-


name: 2-tetradecyloctadecyl oleate
cas: 94278-08-7
formula: C50H98O2
inchikey: GECHDLFVCIINSD-RFBIWTDZSA-N
norman_susdat_id: NS00066545
pubchem_cid: 6433038
smiles: O=C(OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C50H98O2/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50(51)52-48-49(45-42-39-36-33-30-24-21-18-15-12-9-6-3)46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,49H,4-24,26,28-48H2,1-3H3


name: Didocosyl glutarate
cas: 94278-09-8
chemspiderid: 2290209
dtxsid: DTXSID50241385
formula: C49H96O4
inchikey: QUDHBLCQVPDDJK-UHFFFAOYSA-N
norman_susdat_id: NS00040365
pubchem_cid: 3024233
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C49H96O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-52-48(50)44-43-45-49(51)53-47-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3


name: Docosyl hydrogen glutarate
cas: 94278-12-3
dtxsid: DTXSID10915777
formula: C27H52O4
inchikey: CNMJKGUUEVNWNR-UHFFFAOYSA-N
norman_susdat_id: NS00065565
pubchem_cid: 20309217
smiles: O=C(O)CCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-27(30)24-22-23-26(28)29/h2-25H2,1H3,(H,28,29)


name: 2-Methoxyethyl docosanoate
cas: 94278-13-4
chemspiderid: 2290210
dtxsid: DTXSID10241386
formula: C25H50O3
inchikey: UKUZOKUATMVQAC-UHFFFAOYSA-N
norman_susdat_id: NS00040366
pubchem_cid: 3024234
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC
inchi:
InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)28-24-23-27-2/h3-24H2,1-2H3


cas: 94278-14-5
formula: C25H24ClN5O6S2
inchikey: NSGYEWXPLHIUCR-UHFFFAOYSA-M
norman_susdat_id: NS00066547
pubchem_cid: 3024236
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3CC)C)C4=CC(=CC=C4Cl)S(=O)(=O)[O-]
name:
Sodium 4-chloro-3-[4-[[3-[[(2-ethylphenyl)amino]sulphonyl]-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C25H24ClN5O6S2.Na/c1-4-17-7-5-6-8-21(17)30-38(33,34)23-13-18(10-9-15(23)2)27-28-24-16(3)29-31(25(24)32)22-14-19(39(35,36)37)11-12-20(22)26;/h5-14,24,30H,4H2,1-3H3,(H,35,36,37);/q;+1/p-1


name: 2-[[(1-oxoheptyl)oxy]methyl]-2-[[(1-oxohexyl)oxy]methyl]propane-1,3-diyl dioctanoate
cas: 94278-16-7
dtxsid: DTXSID90915775
formula: C34H62O8
inchikey: VPBRIDYBYLKMLY-UHFFFAOYSA-N
norman_susdat_id: NS00066548
pubchem_cid: 44150085
smiles: O=C(OCC(COC(=O)CCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCC
inchi:
InChI=1/C34H62O8/c1-5-9-13-16-20-24-32(37)41-28-34(26-39-30(35)22-18-12-8-4,27-40-31(36)23-19-15-11-7-3)29-42-33(38)25-21-17-14-10-6-2/h5-29H2,1-4H3


name: [6,11-dioxo-3-[[(1-oxooctyl)oxy]methyl]-1,5-dioxacycloundec-3-yl]methyl decanoate
cas: 94278-17-8
dtxsid: DTXSID30915774
formula: C29H50O8
inchikey: MWFQOKQLWIGWKN-UHFFFAOYSA-N
norman_susdat_id: NS00066549
pubchem_cid: 44145567
smiles: O=C1OCC(COC(=O)CCCC1)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC
inchi:
InChI=1/C29H50O8/c1-3-5-7-9-10-12-14-18-26(31)35-22-29(21-34-25(30)17-13-11-8-6-4-2)23-36-27(32)19-15-16-20-28(33)37-24-29/h3-24H2,1-2H3


cas: 94278-18-9
formula: C96H172O22
inchikey: DRWMWVZTQNMSIS-UHFFFAOYSA-N
norman_susdat_id: NS00065566
pubchem_cid: NA
name:
2,2-bis[[(1-oxooctyl)oxy]methyl]butyl 2-[[[6-[2,2-bis[[(1-oxodecyl)oxy]methyl]butoxy]-1,6-dioxohexyl]oxy]methyl]-2-[[(1-oxooctyl)oxy]methyl]butyladipate

inchi:
InChI=1/C96H172O22/c1-12-23-30-37-39-46-53-64-87(102)111-71-93(20-9,72-112-88(103)65-54-47-40-38-31-24-13-2)75-113-89(104)66-55-56-67-90(105)117-80-96(81(58-19-8)70-108-82(97)59-48-41-32-25-14-3,92(107)118-79-95(22-11,77-114-85(100)62-51-44-35-28-17-6)78-115-86(101)63-52-45-36-29-18-7)69-57-68-91(106)116-76-94(21-10,73-109-83(98)60-49-42-33-26-15-4)74-110-84(99)61-50-43-34-27-16-5/h81H,12-80H2,1-11H3

smiles:
O=C(OCC(CCC)C(C(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC)(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)CC)CCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC)CCCCCCC


name: 3-(boronooxy)-2-hydroxypropyl stearate
cas: 94278-23-6
dtxsid: DTXSID90915770
formula: C21H43BO6
inchikey: QCJDCAOQAWDHMG-UHFFFAOYSA-N
norman_susdat_id: NS00066026
pubchem_cid: 16206111
smiles: O=C(OCC(O)COB(O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43BO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)27-18-20(23)19-28-22(25)26/h20,23,25-26H,2-19H2,1H3


name: 6-Butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)quinoline-3-carboxylic acid
cas: 94278-93-0
chemspiderid: 2290226
dtxsid: DTXSID00241390
formula: C21H21N1O4
inchikey: RJKIJUZPBRQEJU-UHFFFAOYSA-N
norman_susdat_id: NS00040368
pubchem_cid: 3024254
smiles: CCCCc1cc2c([nH]cc(C(=O)O)c2=O)cc1OCc1ccccc1
inchi:
InChI=1S/C21H21NO4/c1-2-3-9-15-10-16-18(22-12-17(20(16)23)21(24)25)11-19(15)26-13-14-7-5-4-6-8-14/h4-8,10-12H,2-3,9,13H2,1H3,(H,22,23)(H,24,25)


name: (Z,Z)-2-(8,11-heptadecadienyl)-4,5-dihydro-1H-imidazole-1-ethanol
cas: 94278-94-1
formula: C22H40N2O
inchikey: RZEKCHYRTKKSPQ-HZJYTTRNSA-N
norman_susdat_id: NS00092787
smiles: CCCCC\C=C/C\C=C/CCCCCCCC1=NCCN1CCO
inchi:
InChI=1/C22H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h6-7,9-10,25H,2-5,8,11-21H2,1H3


name: Potassium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate
cas: 94278-96-3
formula: C24H44O6.K
inchikey: GTNNCNWLWZLCGV-UHFFFAOYSA-M
norman_susdat_id: NS00093328
smiles: [K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C24H44O6.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);/q;+1/p-1


name: 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl stearate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 94278-97-4
formula: C24H44O6.C6H15NO3
inchikey: YMMGUDBCTPBDMT-UHFFFAOYSA-N
norman_susdat_id: NS00092788
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C24H44O6.C6H15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;8-4-1-7(2-5-9)3-6-10/h20-21H,4-19H2,1-3H3,(H,26,27);8-10H,1-6H2


name: (2-hydroxypropyl)methyldioctadecylammonium chloride
cas: 94278-98-5
formula: C40H84NO.Cl
inchikey: NPBDYRSSBRSZNK-UHFFFAOYSA-M
norman_susdat_id: NS00092756
smiles: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C)O
inchi:
InChI=1/C40H84NO.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(4,39-40(3)42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h40,42H,5-39H2,1-4H3;1H/q+1;/p-1


name: (Z)-N-[3-[(3-aminopropyl)methylamino]propyl]-9-octadecenamide
cas: 94278-99-6
formula: C25H51N3O
inchikey: CMGLAGCNABBSLR-KHPPLWFESA-N
norman_susdat_id: NS00066065
pubchem_cid: 20836332
smiles: O=C(NCCCN(C)CCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H51N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h10-11H,3-9,12-24,26H2,1-2H3,(H,27,29)


name: (9Z,12Z)-N-[3-[(3-aminopropyl)methylamino]propyl]octadeca-9,12-dien-1-amide
cas: 94279-00-2
formula: C25H49N3O
inchikey: WQRKORDUHFEZDN-NQLNTKRDSA-N
norman_susdat_id: NS00066563
pubchem_cid: 44153061
smiles: O=C(NCCCN(C)CCCN)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C25H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h7-8,10-11H,3-6,9,12-24,26H2,1-2H3,(H,27,29)


name: Hexahydro-1,3,5-trioctyl-1,3,5-triazine
cas: 94279-01-3
dtxsid: DTXSID10915752
formula: C27H57N3
inchikey: CHPWHRVLSQHJNK-UHFFFAOYSA-N
norman_susdat_id: NS00065608
pubchem_cid: 11327707
smiles: N1(CN(CN(C1)CCCCCCCC)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C27H57N3/c1-4-7-10-13-16-19-22-28-25-29(23-20-17-14-11-8-5-2)27-30(26-28)24-21-18-15-12-9-6-3/h4-27H2,1-3H3


name: (o-chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
cas: 94279-02-4
dtxsid: DTXSID50915751
formula: C26H46ClN2O
inchikey: XWBBYQGVTVRSTE-UHFFFAOYSA-N
norman_susdat_id: NS00065561
pubchem_cid: 44152502
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=1C=CC=CC1Cl)CCCCCCCCCCCCC
inchi:
InChI=1/C26H45ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-20-26(30)28-21-17-22-29(2,3)23-24-18-15-16-19-25(24)27;/h15-16,18-19H,4-14,17,20-23H2,1-3H3;1H


name: (p-chlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
cas: 94279-03-5
dtxsid: DTXSID90915750
formula: C26H46ClN2O
inchikey: OXVVZJAXODXQFF-UHFFFAOYSA-N
norman_susdat_id: NS00065609
pubchem_cid: 44154266
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1)CCCCCCCCCCCCC
inchi:
InChI=1/C26H45ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(30)28-21-15-22-29(2,3)23-24-17-19-25(27)20-18-24;/h17-20H,4-16,21-23H2,1-3H3;1H


name: (2,4-dichlorobenzyl)dimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
cas: 94279-05-7
dtxsid: DTXSID20915748
formula: C26H45Cl2N2O
inchikey: YJNZATAWYFDGHO-UHFFFAOYSA-N
norman_susdat_id: NS00065626
pubchem_cid: 3024262
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1Cl)CCCCCCCCCCCCC
inchi:
InChI=1/C26H44Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(31)29-19-15-20-30(2,3)22-23-17-18-24(27)21-25(23)28;/h17-18,21H,4-16,19-20,22H2,1-3H3;1H


cas: 94279-07-9
formula: C23H24Cl2N2O4.ClH
inchikey: ZDMKHZBXBXPVCC-UHFFFAOYSA-N
norman_susdat_id: NS00092757
smiles: Cl.CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)N2C(=O)c3ccccc3C2=O
name:
Ethyl a-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride

inchi:
InChI=1/C23H24Cl2N2O4.ClH/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25;/h3-10,20H,2,11-15H2,1H3;1H


name: (1,3-diphenylbutyl)-m-xylene
cas: 94279-12-6
dtxsid: DTXSID20915743
formula: C24H26
inchikey: JMOHOFZVQVOTEN-UHFFFAOYSA-N
norman_susdat_id: NS00065562
pubchem_cid: 3024263
smiles: C=1C=CC(=CC1)C(C=2C(=CC=CC2C)C)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-18-11-10-12-19(2)24(18)23(22-15-8-5-9-16-22)17-20(3)21-13-6-4-7-14-21/h4-16,20,23H,17H2,1-3H3


name: [1-(3-ethylphenyl)ethyl](1-phenylethyl)benzene
cas: 94279-13-7
formula: C24H26
inchikey: LSJYPNHKZYLVOQ-UHFFFAOYSA-N
norman_susdat_id: NS00065627
pubchem_cid: 3024264
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2C(C=3C=CC=C(C3)CC)C)C
inchi:
InChI=1/C24H26/c1-4-20-11-10-14-22(17-20)19(3)24-16-9-8-15-23(24)18(2)21-12-6-5-7-13-21/h5-19H,4H2,1-3H3


name: Ethylbis(1-phenylethyl)benzene
cas: 94279-14-8
dtxsid: DTXSID60915742
formula: C24H26
inchikey: HHCOXQKOLLRJQZ-UHFFFAOYSA-N
norman_susdat_id: NS00066066
pubchem_cid: 3024265
smiles: C=1C=CC(=CC1)C(C=2C=CC=C(C2C(C=3C=CC=CC3)C)CC)C
inchi:
InChI=1/C24H26/c1-4-20-16-11-17-23(18(2)21-12-7-5-8-13-21)24(20)19(3)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3


name: 2-hydroxyphenyl [3-(triethoxysilyl)propoxy]phenyl ketone
cas: 94279-21-7
dtxsid: DTXSID40915740
formula: C22H30O6Si
inchikey: QOURFRLITHOGFC-UHFFFAOYSA-N
norman_susdat_id: NS00065563
pubchem_cid: 3024266
smiles: O=C(C=1C=CC=CC1O)C=2C=CC=CC2OCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C22H30O6Si/c1-4-26-29(27-5-2,28-6-3)17-11-16-25-21-15-10-8-13-19(21)22(24)18-12-7-9-14-20(18)23/h7-10,12-15,23H,4-6,11,16-17H2,1-3H3


name: 2-hydroxyphenyl [3-(trimethoxysilyl)propoxy]phenyl ketone
cas: 94279-22-8
dtxsid: DTXSID30915739
formula: C19H24O6Si
inchikey: NGWLAARQGOAMHW-UHFFFAOYSA-N
norman_susdat_id: NS00065628
pubchem_cid: 3024267
smiles: O=C(C=1C=CC=CC1O)C=2C=CC=CC2OCCC[Si](OC)(OC)OC
inchi:
InChI=1/C19H24O6Si/c1-22-26(23-2,24-3)14-8-13-25-18-12-7-5-10-16(18)19(21)15-9-4-6-11-17(15)20/h4-7,9-12,20H,8,13-14H2,1-3H3


name: 4,4,6-trimethyl-2-[1-methyl-2-[4-(1-methylethyl)phenyl]ethyl]-1,3-dioxane
cas: 94291-56-2
formula: C19H30O2
inchikey: HMBQDSPREBNWHZ-UHFFFAOYSA-N
norman_susdat_id: NS00066058
pubchem_cid: 11971365
smiles: O1C(OC(C)(C)CC1C)C(C)CC2=CC=C(C=C2)C(C)C
inchi:
InChI=1/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3


name: 3,7-dimethyloct-6-en-1-yl phenethyl carbonate
cas: 94291-60-8
dtxsid: DTXSID20915728
formula: C19H28O3
inchikey: SIUXHHHLKJUSAT-UHFFFAOYSA-N
norman_susdat_id: NS00066060
pubchem_cid: 3024277
smiles: O=C(OCCC=1C=CC=CC1)OCCC(C)CCC=C(C)C
inchi:
InChI=1/C19H28O3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h4-6,8,10-11,17H,7,9,12-15H2,1-3H3


name: 4,4'-[hexane-1,6-diylbis(oxy)]bisbenzonitrile
cas: 94291-61-9
dtxsid: DTXSID60915727
formula: C20H20N2O2
inchikey: NSIXQDMKFBNVGX-UHFFFAOYSA-N
norman_susdat_id: NS00066061
pubchem_cid: 4417701
smiles: N#CC1=CC=C(OCCCCCCOC2=CC=C(C#N)C=C2)C=C1
inchi:
InChI=1/C20H20N2O2/c21-15-17-5-9-19(10-6-17)23-13-3-1-2-4-14-24-20-11-7-18(16-22)8-12-20/h5-12H,1-4,13-14H2


name: 10,11-dihydro-N,5-dimethyl-5H-dibenz[b,f]azepin-10-amine oxalate
cas: 94291-64-2
formula: C16H18N2.C2H2O4
inchikey: USTLUBMTLHVUHQ-UHFFFAOYSA-N
norman_susdat_id: NS00093372
smiles: CNC1Cc2ccccc2N(C)c3ccccc13.OC(=O)C(=O)O
inchi:
InChI=1/C16H18N2.C2H2O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;3-1(4)2(5)6/h3-10,14,17H,11H2,1-2H3;(H,3,4)(H,5,6)


name: 3-[tris(octyloxy)silyl]propanethiol
cas: 94291-66-4
dtxsid: DTXSID40241394
formula: C27H58O3SSi
inchikey: WEPFXPXOMFVBDZ-UHFFFAOYSA-N
norman_susdat_id: NS00066657
pubchem_cid: 3024279
smiles: SCCC[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC
inchi:
InChI=1/C27H58O3SSi/c1-4-7-10-13-16-19-23-28-32(27-22-26-31,29-24-20-17-14-11-8-5-2)30-25-21-18-15-12-9-6-3/h31H,4-27H2,1-3H3


name: Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate
cas: 94291-71-1
dtxsid: DTXSID60915722
formula: C16H18O3
inchikey: BNKFCCNRTVWDBP-UHFFFAOYSA-N
norman_susdat_id: NS00065918
pubchem_cid: 3024282
smiles: O=C(OC=1C=CC=CC1)OC2(CC#C)CCCCC2
inchi:
InChI=1/C16H18O3/c1-2-11-16(12-7-4-8-13-16)19-15(17)18-14-9-5-3-6-10-14/h1,3,5-6,9-10H,4,7-8,11-13H2


name: 5-Amino-2-(((3-carboxy-4-chlorophenyl)amino)sulphonyl)benzoic acid
cas: 94291-74-4
chemspiderid: 2290248
dtxsid: DTXSID80241398
formula: C14H11Cl1N2O6S1
inchikey: KDEWKZQOXQFHLX-UHFFFAOYSA-N
norman_susdat_id: NS00040374
pubchem_cid: 3024284
smiles: Nc1cc(C(=O)O)c(cc1)S(=O)(=O)Nc1cc(C(=O)O)c(Cl)cc1
inchi:
InChI=1S/C14H11ClN2O6S/c15-11-3-2-8(6-9(11)13(18)19)17-24(22,23)12-4-1-7(16)5-10(12)14(20)21/h1-6,17H,16H2,(H,18,19)(H,20,21)


cas: 94291-75-5
formula: C32H9F58O4P.C4H11NO2
inchikey: IKMZFDJIIBQZFQ-UHFFFAOYSA-N
norman_susdat_id: NS00093377
name:
Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate

inchi:
InChI=1/C32H9F58O4P.C4H11NO2/c33-5(34,7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)25(73,74)27(77,78)29(81,82)31(85,86)87)1-3-93-95(91,92)94-4-2-6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(71,72)26(75,76)28(79,80)30(83,84)32(88,89)90;6-3-1-5-2-4-7/h1-4H2,(H,91,92);5-7H,1-4H2

smiles:
OCC[NH2+]CCO.[O-]P(=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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94291-76-6
formula: C36H9F66O4P.C4H11NO2
inchikey: ASQHIVLTDYBZHV-UHFFFAOYSA-N
norman_susdat_id: NS00093216
name:
Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C36H9F66O4P.C4H11NO2/c37-5(38,7(41,42)9(45,46)11(49,50)13(53,54)15(57,58)17(61,62)19(65,66)21(69,70)23(73,74)25(77,78)27(81,82)29(85,86)31(89,90)33(93,94)35(97,98)99)1-3-105-107(103,104)106-4-2-6(39,40)8(43,44)10(47,48)12(51,52)14(55,56)16(59,60)18(63,64)20(67,68)22(71,72)24(75,76)26(79,80)28(83,84)30(87,88)32(91,92)34(95,96)36(100,101)102;6-3-1-5-2-4-7/h1-4H2,(H,103,104);5-7H,1-4H2

smiles:
OCCNCCO.OP(=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)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)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 94291-77-7
formula: C22H9F38O4P.C4H11NO2
inchikey: KWXNYGDGJKISHD-UHFFFAOYSA-N
norman_susdat_id: NS00093064
name:
Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C22H9F38O4P.C4H11NO2/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60;6-3-1-5-2-4-7/h1-4H2,(H,61,62);5-7H,1-4H2

smiles:
OCCNCCO.OP(=O)(OCCC(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)OCCC(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


cas: 94291-78-8
formula: C26H9F46O4P.C4H11NO2
inchikey: NVEVDAOYRBYRNN-UHFFFAOYSA-N
norman_susdat_id: NS00093378
name:
Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C26H9F46O4P.C4H11NO2/c27-5(28,9(33,34)13(41,42)17(49,50)21(57,58)19(53,54)15(45,46)11(37,38)7(31,23(61,62)63)24(64,65)66)1-3-75-77(73,74)76-4-2-6(29,30)10(35,36)14(43,44)18(51,52)22(59,60)20(55,56)16(47,48)12(39,40)8(32,25(67,68)69)26(70,71)72;6-3-1-5-2-4-7/h1-4H2,(H,73,74);5-7H,1-4H2

smiles:
OCCNCCO.OP(=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)C(F)(C(F)(F)F)C(F)(F)F)OCCC(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: 8-methoxy-2,6-dimethyl-8-(2-phenylethoxy)octan-2-ol
cas: 94291-84-6
dtxsid: DTXSID30915719
formula: C19H32O3
inchikey: JHKWGPXCUJMKMV-UHFFFAOYSA-N
norman_susdat_id: NS00066083
pubchem_cid: 3024288
smiles: OC(C)(C)CCCC(C)CC(OC)OCCC=1C=CC=CC1
inchi:
InChI=1/C19H32O3/c1-16(9-8-13-19(2,3)20)15-18(21-4)22-14-12-17-10-6-5-7-11-17/h5-7,10-11,16,18,20H,8-9,12-15H2,1-4H3


name: [2-[(1-methoxyundecyl)oxy]ethyl]benzene
cas: 94291-85-7
dtxsid: DTXSID70915718
formula: C20H34O2
inchikey: VTIBZGRHIAXWGL-UHFFFAOYSA-N
norman_susdat_id: NS00066664
pubchem_cid: 3024289
smiles: O(C)C(OCCC=1C=CC=CC1)CCCCCCCCCC
inchi:
InChI=1/C20H34O2/c1-3-4-5-6-7-8-9-13-16-20(21-2)22-18-17-19-14-11-10-12-15-19/h10-12,14-15,20H,3-9,13,16-18H2,1-2H3


name: 8-[(3,7-dimethyl-6-octenyl)oxy]-8-methoxy-2,6-dimethyloctan-2-ol
cas: 94291-86-8
dtxsid: DTXSID10915717
formula: C21H42O3
inchikey: GKWDNHWDEWUFBB-UHFFFAOYSA-N
norman_susdat_id: NS00065944
pubchem_cid: 3024290
smiles: OC(C)(C)CCCC(C)CC(OC)OCCC(C)CCC=C(C)C
inchi:
InChI=1/C21H42O3/c1-17(2)10-8-11-18(3)13-15-24-20(23-7)16-19(4)12-9-14-21(5,6)22/h10,18-20,22H,8-9,11-16H2,1-7H3


name: 1-[(3,7-dimethyloct-6-enyl)oxy]-1-methoxyundecane
cas: 94291-87-9
dtxsid: DTXSID50915716
formula: C22H44O2
inchikey: IRJKWMJAESWGCA-UHFFFAOYSA-N
norman_susdat_id: NS00066665
pubchem_cid: 3024291
smiles: O(C)C(OCCC(C)CCC=C(C)C)CCCCCCCCCC
inchi:
InChI=1/C22H44O2/c1-6-7-8-9-10-11-12-13-17-22(23-5)24-19-18-21(4)16-14-15-20(2)3/h15,21-22H,6-14,16-19H2,1-5H3


name: 8-(decyloxy)-8-methoxy-2,6-dimethyloctan-2-ol
cas: 94291-89-1
dtxsid: DTXSID30915714
formula: C21H44O3
inchikey: XQLDKYPNLRNPAF-UHFFFAOYSA-N
norman_susdat_id: NS00066406
pubchem_cid: 3024293
smiles: OC(C)(C)CCCC(C)CC(OC)OCCCCCCCCCC
inchi:
InChI=1/C21H44O3/c1-6-7-8-9-10-11-12-13-17-24-20(23-5)18-19(2)15-14-16-21(3,4)22/h19-20,22H,6-18H2,1-5H3


name: Bis[2-(octadecyloxy)ethyl] N-(1-oxododecyl)-L-glutamate
cas: 94291-90-4
formula: C57H111NO7
inchikey: FIOKKCLOOBYBKU-XSMLMOGHSA-N
norman_susdat_id: NS00066666
pubchem_cid: 44151551
smiles: O=C(OCCOCCCCCCCCCCCCCCCCCC)CCC(NC(=O)CCCCCCCCCCC)C(=O)OCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C57H111NO7/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-48-62-50-52-64-56(60)47-46-54(58-55(59)45-42-39-36-33-18-15-12-9-6-3)57(61)65-53-51-63-49-44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3,(H,58,59)


name: Sodium hydrogen 2-[(1-oxooctadecyl)amino]-4-sulphonatobutyrate
cas: 94291-92-6
dtxsid: DTXSID10915712
formula: C22H43NO6S
inchikey: XDIZPRWNZSWAQP-UHFFFAOYSA-L
norman_susdat_id: NS00066084
pubchem_cid: 44150112
smiles: [Na+].O=C(NC(C(=O)[O-])CCS(=O)(=O)[O-])CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19-30(27,28)29;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);/q;+1/p-2


name: Bis[2-[(2-octyldodecyl)oxy]ethyl] N-(1-oxododecyl)-L-glutamate
cas: 94291-93-7
dtxsid: DTXSID50241401
formula: C61H119NO7
inchikey: GURBNZOWXLYRSW-UPJARBDLSA-N
norman_susdat_id: NS00066407
pubchem_cid: 57356779
smiles: O=C(OCCOCC(CCCCCCCC)CCCCCCCCCC)CCC(NC(=O)CCCCCCCCCCC)C(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C61H119NO7/c1-6-11-16-21-26-29-32-37-42-47-59(63)62-58(61(65)69-53-51-67-55-57(44-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-60(64)68-52-50-66-54-56(43-38-33-24-19-14-9-4)45-40-35-30-27-22-17-12-7-2/h56-58H,6-55H2,1-5H3,(H,62,63)


name: 2-[3-[4-(methylthio)benzoyl]phenyl]propionic acid
cas: 94292-03-2
dtxsid: DTXSID80915704
formula: C17H16O3S
inchikey: UFDXUEHTMZBRTA-UHFFFAOYSA-N
norman_susdat_id: NS00066668
pubchem_cid: 3024295
smiles: O=C(O)C(C=1C=CC=C(C1)C(=O)C2=CC=C(SC)C=C2)C
inchi:
InChI=1/C17H16O3S/c1-11(17(19)20)13-4-3-5-14(10-13)16(18)12-6-8-15(21-2)9-7-12/h3-11H,1-2H3,(H,19,20)


name: 3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)
cas: 94292-04-3
formula: C14H21N6.Cl3Zn
inchikey: HTZAOZBWAQOWOF-UHFFFAOYSA-L
norman_susdat_id: NS00093079
smiles: Cl[Zn-](Cl)Cl.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C
inchi:
InChI=1/C14H22N6.3ClH.Zn/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;;;;/h7-10H,5-6,11H2,1-4H3;3*1H;/q;;;;+2/p-2/rC14H22N6.Cl3Zn/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-4(2)3/h7-10H,5-6,11H2,1-4H3;/q;-1/p+1


name: 8-hydroxyquinolinium (1S)-2-oxobornane-10-sulphonate
cas: 94293-54-6
formula: C10H16O4S.C9H7NO
inchikey: SYCMVVYJIZOHPF-DLGLCQKISA-N
norman_susdat_id: NS00093381
smiles: CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.Oc3cccc4ccc[nH+]c34
inchi:
InChI=1/C10H16O4S.C9H7NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-8-5-1-3-7-4-2-6-10-9(7)8/h7H,3-6H2,1-2H3,(H,12,13,14);1-6,11H


name: 2,3-dihydroxypropyl octadecylcarbamate
cas: 94313-60-7
dtxsid: DTXSID60915686
formula: C22H45NO4
inchikey: MYNLMVLLTVSZCB-UHFFFAOYSA-N
norman_susdat_id: NS00066105
pubchem_cid: 3024299
smiles: O=C(OCC(O)CO)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(26)27-20-21(25)19-24/h21,24-25H,2-20H2,1H3,(H,23,26)


name: (2-hydroxyethyl)octadecylammonium chloride
cas: 94313-61-8
formula: C20H43NO.ClH
inchikey: ZHBKZXHOXKFVFY-UHFFFAOYSA-N
norman_susdat_id: NS00093383
smiles: [Cl-].CCCCCCCCCCCCCCCCCC[NH2+]CCO
inchi:
InChI=1/C20H43NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22;/h21-22H,2-20H2,1H3;1H


cas: 94313-65-2
dtxsid: DTXSID80915683
formula: C36H44N4O5
inchikey: LQSMXDMVIXNJEY-UHFFFAOYSA-N
norman_susdat_id: NS00065855
pubchem_cid: 3024302
smiles: N#CC1=CC=C(C=C1)NC(=O)NC2=CC(=O)C(=CC2=O)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CCCC
name:
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide

inchi:
InChI=1/C36H44N4O5/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)39-27-20-30(42)28(21-29(27)41)40-34(44)38-25-16-13-23(22-37)14-17-25/h13-21,32H,8-12H2,1-7H3,(H,39,43)(H2,38,40,44)


name: Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate
cas: 94313-68-5
formula: C24H42O6.H3N
inchikey: GWEJFPVHTVFSKI-AFEZEDKISA-N
norman_susdat_id: NS00093015
smiles: [NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C24H42O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);1H3


name: Potassium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate
cas: 94313-69-6
formula: C24H42O6.K
inchikey: YABKNCWCSBZRHX-AFEZEDKISA-M
norman_susdat_id: NS00093016
smiles: [K+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C24H42O6.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);/q;+1/p-1


name: 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl oleate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 94313-70-9
formula: C24H42O6.C6H15NO3
inchikey: XUBSENCNBRNSCL-AFEZEDKISA-N
norman_susdat_id: NS00093201
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C24H42O6.C6H15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;8-4-1-7(2-5-9)3-6-10/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,26,27);8-10H,1-6H2


name: Ammonium 1-carboxylatoethyl oleate
cas: 94313-71-0
formula: C21H38O4.H3N
inchikey: DNYVIYQZSALBTQ-GMFCBQQYSA-N
norman_susdat_id: NS00093361
smiles: [NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H38O4.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);1H3


name: Potassium 1-carboxylatoethyl oleate
cas: 94313-72-1
formula: C21H38O4.K
inchikey: PWYPOTKOOMYHCQ-GMFCBQQYSA-M
norman_susdat_id: NS00093017
smiles: [K+].CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H38O4.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);/q;+1/p-1


name: 1-carboxyethyl oleate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 94313-73-2
formula: C21H38O4.C6H15NO3
inchikey: TVPSOQGYZRJWJL-GMFCBQQYSA-N
norman_susdat_id: NS00093202
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C21H38O4.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;8-4-1-7(2-5-9)3-6-10/h10-11,19H,3-9,12-18H2,1-2H3,(H,23,24);8-10H,1-6H2


name: Ammonium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl stearate
cas: 94313-74-3
formula: C24H44O6.H3N
inchikey: VCERRNPXCNTYQK-UHFFFAOYSA-N
norman_susdat_id: NS00093362
smiles: [NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C24H44O6.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);1H3


name: 2-[(2-butoxyethyl)amino]-1,4-dihydroxyanthraquinone
cas: 94313-76-5
dtxsid: DTXSID60915681
formula: C20H21NO5
inchikey: RWOKTCVFQFPYSE-UHFFFAOYSA-N
norman_susdat_id: NS00065856
pubchem_cid: 14094541
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(O)C(=CC(O)=C13)NCCOCCCC
inchi:
InChI=1/C20H21NO5/c1-2-3-9-26-10-8-21-14-11-15(22)16-17(20(14)25)19(24)13-7-5-4-6-12(13)18(16)23/h4-7,11,21-22,25H,2-3,8-10H2,1H3


cas: 94313-77-6
formula: C35H26N4O7S2.C6H13N
inchikey: MKSQGOOYZDGETB-UHFFFAOYSA-M
norman_susdat_id: NS00093363
smiles: COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].NC8CCCCC8
name:
Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with cyclohexanamine (1:1)

inchi:
InChI=1/C35H26N4O7S2.C6H13N/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;7-6-4-2-1-3-5-6/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);6H,1-5,7H2/p-1


cas: 94313-78-7
formula: C35H26N4O7S2.C15H17N3
inchikey: WXQXYJHALOFDIK-UHFFFAOYSA-M
norman_susdat_id: NS00093364
name:
Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with N,N'-bis(m-tolyl)guanidine (1:1)

inchi:
InChI=1/C35H26N4O7S2.C15H17N3/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);3-10H,1-2H3,(H3,16,17,18)/p-1

smiles:
COc1ccccc1Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(Nc6ccccc6)cc4[n+]3c7ccccc7)S(=O)(=O)[O-].Cc8cccc(NC(=N)Nc9cccc(C)c9)c8


name: 1,4-dihydroxy-2-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone
cas: 94313-79-8
dtxsid: DTXSID00915680
formula: C20H21NO6
inchikey: ZSFWKWLNASMXLT-UHFFFAOYSA-N
norman_susdat_id: NS00066365
pubchem_cid: 14094531
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(O)C(=CC(O)=C13)NCCCOCCOC
inchi:
InChI=1/C20H21NO6/c1-26-9-10-27-8-4-7-21-14-11-15(22)16-17(20(14)25)19(24)13-6-3-2-5-12(13)18(16)23/h2-3,5-6,11,21-22,25H,4,7-10H2,1H3


name: 2-[(2-ethoxyethyl)amino]-1,4-dihydroxyanthraquinone
cas: 94313-80-1
dtxsid: DTXSID90915679
formula: C18H17NO5
inchikey: OODGLDFRSOEBDW-UHFFFAOYSA-N
norman_susdat_id: NS00065857
pubchem_cid: 14094535
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(O)C(=CC(O)=C13)NCCOCC
inchi:
InChI=1/C18H17NO5/c1-2-24-8-7-19-12-9-13(20)14-15(18(12)23)17(22)11-6-4-3-5-10(11)16(14)21/h3-6,9,19-20,23H,2,7-8H2,1H3


name: 1-hydroxy-4-[[3-(2-methoxyethoxy)propyl]amino]anthraquinone
cas: 94313-81-2
dtxsid: DTXSID30915678
formula: C20H21NO5
inchikey: CGSFGQWGUXHDKE-UHFFFAOYSA-N
norman_susdat_id: NS00066366
pubchem_cid: 16206118
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NCCCOCCOC
inchi:
InChI=1/C20H21NO5/c1-25-11-12-26-10-4-9-21-15-7-8-16(22)18-17(15)19(23)13-5-2-3-6-14(13)20(18)24/h2-3,5-8,21-22H,4,9-12H2,1H3


name: 1-[(2-ethoxyethyl)amino]-4-hydroxyanthraquinone
cas: 94313-82-3
dtxsid: DTXSID70915677
formula: C18H17NO4
inchikey: GODGYFLEIWJTOK-UHFFFAOYSA-N
norman_susdat_id: NS00066640
pubchem_cid: 16206119
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NCCOCC
inchi:
InChI=1/C18H17NO4/c1-2-23-10-9-19-13-7-8-14(20)16-15(13)17(21)11-5-3-4-6-12(11)18(16)22/h3-8,19-20H,2,9-10H2,1H3


name: 1-[(2-butoxyethyl)amino]-4-hydroxyanthraquinone
cas: 94313-83-4
dtxsid: DTXSID10915676
formula: C20H21NO4
inchikey: VZCZOEKMIQRLJI-UHFFFAOYSA-N
norman_susdat_id: NS00066641
pubchem_cid: 16206120
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NCCOCCCC
inchi:
InChI=1/C20H21NO4/c1-2-3-11-25-12-10-21-15-8-9-16(22)18-17(15)19(23)13-6-4-5-7-14(13)20(18)24/h4-9,21-22H,2-3,10-12H2,1H3


cas: 94313-84-5
chemspiderid: 4897049
dtxsid: DTXSID60881195
formula: C38H50F17N3O6S1
inchikey: KNRYNMVWXXLSPN-QXMHVHEDSA-N
norman_susdat_id: NS00019360
pubchem_cid: 20836334
name:
(Z)-Octadec-9-enyl (5-(((2-(((perfluorooctyl)sulphonyl)methylamino)ethoxy)carbonyl)amino)-o-tolyl)carbamate

inchi:
InChI=1S/C38H50F17N3O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-63-30(60)57-28-25-27(21-20-26(28)2)56-29(59)64-24-22-58(3)65(61,62)38(54,55)36(49,50)34(45,46)32(41,42)31(39,40)33(43,44)35(47,48)37(51,52)53/h11-12,20-21,25H,4-10,13-19,22-24H2,1-3H3,(H,56,59)(H,57,60)/b12-11-

smiles:
CCCCCCCCC=C/CCCCCCCCOC(=O)NC1=CC(NC(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC=C1C


name: [4-cyano-4-(3-methoxyphenyl)hexadec-1-yl](5-methoxyphenethyl)methylammonium chloride
cas: 94313-88-9
formula: C34H52N2O2.ClH
inchikey: SPIVBBPTKHDDSC-UHFFFAOYSA-N
norman_susdat_id: NS00092960
smiles: [Cl-].CCCCCCCCCCCCC(CCC[NH+](C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2
inchi:
InChI=1/C34H52N2O2.ClH/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3;/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3;1H


name: Ammonium 1,4-didecyl sulphonatosuccinate
cas: 94313-89-0
formula: C24H46O7S.H3N
inchikey: SOPRNXRDANZMOB-UHFFFAOYSA-N
norman_susdat_id: NS00093203
smiles: [NH4+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C24H46O7S.H3N/c1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h22H,3-21H2,1-2H3,(H,27,28,29);1H3


name: Bis[2-hydroxy-3-[(1-oxooctadec-9-enyl)oxy]propyl] adipate
cas: 94313-92-5
formula: C48H86O10
inchikey: ARLXGBZNBMODOR-UHFFFAOYSA-N
norman_susdat_id: NS00066017
pubchem_cid: 3024311
smiles: O=C(OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C48H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-45(51)55-39-43(49)41-57-47(53)37-33-34-38-48(54)58-42-44(50)40-56-46(52)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44,49-50H,3-16,21-42H2,1-2H3


name: 1-[4-(1-methyl-1-phenylethyl)phenoxy]dodecan-2-ol
cas: 94313-93-6
dtxsid: DTXSID10915671
formula: C27H40O2
inchikey: VVSMIUNECPKPEV-UHFFFAOYSA-N
norman_susdat_id: NS00066018
pubchem_cid: 3024312
smiles: OC(COC1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)CCCCCCCCCC
inchi:
InChI=1/C27H40O2/c1-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27(2,3)23-15-12-11-13-16-23/h11-13,15-16,18-21,25,28H,4-10,14,17,22H2,1-3H3


cas: 94313-96-9
formula: C23H24N4O6S
inchikey: MAHDCBXZMPBGGX-UHFFFAOYSA-M
norman_susdat_id: NS00065880
pubchem_cid: 3024313
smiles: [Li+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(OCC(O)C)C=C3)=CC2C)C=C1
name:
Lithium sodium 4-[[4-[[4-(2-hydroxypropoxy)phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzenesulphonate

inchi:
InChI=1/C23H24N4O6S.Li.Na/c1-15-12-22(27-25-17-4-8-19(9-5-17)33-14-16(2)28)23(32-3)13-21(15)26-24-18-6-10-20(11-7-18)34(29,30)31;;/h4-13,16,28H,14H2,1-3H3,(H,29,30,31);;/q;2*+1/p-1


name: Dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
cas: 94313-98-1
chemspiderid: 2290273
dtxsid: DTXSID10241422
formula: C17H28N2O4
inchikey: VDRNRWULSNOIRB-UHFFFAOYSA-N
norman_susdat_id: NS00040382
pubchem_cid: 3024315
smiles: CCCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
inchi:
InChI=1S/C17H28N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(21)14-13-15(20)19-17(22)18-14/h13H,2-12H2,1H3,(H2,18,19,20,22)


name: Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
cas: 94313-99-2
chemspiderid: 187434
dtxsid: DTXSID70241423
formula: C21H36N2O4
inchikey: GKFRQFYVSXXTFY-UHFFFAOYSA-N
norman_susdat_id: NS00040383
pubchem_cid: 216233
smiles: CCCCCCCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
inchi:
InChI=1S/C21H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(25)18-17-19(24)23-21(26)22-18/h17H,2-16H2,1H3,(H2,22,23,24,26)


name: Danegaptide
cas: 943134-39-2
formula: C14H17N3O4
inchikey: BIZKIHUJGMSVFD-MNOVXSKESA-N
norman_susdat_id: NS00072457
pubchem_cid: 16656685
smiles: NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O
inchi:
InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1


name: O-methyl-L-cysteine 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
cas: 94314-00-8
formula: C5H4N2O4.C4H9NO2S
inchikey: ZVCBBVSXQDAGFX-HVDRVSQOSA-N
norman_susdat_id: NS00093035
smiles: COC(=O)[C@@H](N)CS.OC(=O)C1=CC(=O)NC(=O)N1
inchi:
InChI=1/C5H4N2O4.C4H9NO2S/c8-3-1-2(4(9)10)6-5(11)7-3;1-7-4(6)3(5)2-8/h1H,(H,9,10)(H2,6,7,8,11);3,8H,2,5H2,1H3


name: 4-(diethylamino)-3-methylbenzenediazonium tetrachlorozincate (1:1)
cas: 94314-02-0
formula: C11H16N3.Cl4Zn
inchikey: MKCOZBLKYODMKJ-UHFFFAOYSA-J
norman_susdat_id: NS00092961
smiles: CCN(CC)c1ccc(cc1C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/C11H16N3.4ClH.Zn/c1-4-14(5-2)11-7-6-10(13-12)8-9(11)3;;;;;/h6-8H,4-5H2,1-3H3;4*1H;/q+1;;;;;+2/p-4/rC11H16N3.Cl4Zn/c1-4-14(5-2)11-7-6-10(13-12)8-9(11)3;1-5(2,3)4/h6-8H,4-5H2,1-3H3;/q+1;-2


name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium tetrachlorozincate (2:1)
cas: 94314-04-2
dtxsid: DTXSID20915667
formula: C11H16N3O
inchikey: UDIXYCKLYUJJPQ-UHFFFAOYSA-J
norman_susdat_id: NS00066019
pubchem_cid: 16206125
smiles: N#[N+]C1=CC=C(C(=C1)C)N(CC)CCO.N#[N+]C1=CC=C(C(=C1)C)N(CC)CCO.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H16N3O.4ClH.Zn/c2*1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;;;;;/h2*4-5,8,15H,3,6-7H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O.Cl4Zn/c2*1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;1-5(2,3)4/h2*4-5,8,15H,3,6-7H2,1-2H3;/q2*+1;-2


name: Di[(Z)-octadec-9-enyl] hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)
cas: 94333-31-0
formula: C36H71O2PS2
inchikey: NCSAMROYVQQFKD-AWLASTDMSA-N
norman_susdat_id: NS00065881
pubchem_cid: 44153118
smiles: O=P(S)(OCCCCCCCCC=CCCCCCCCC)SCCCCCCCCC=CCCCCCCCC.OCCN
inchi:
InChI=1/C36H71O2PS2.C2H7NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(37,40)41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2-4/h17-20H,3-16,21-36H2,1-2H3,(H,37,40);4H,1-3H2


cas: 94333-32-1
formula: C201H362O42
inchikey: ZBBFMQAUSOENNK-UHFFFAOYSA-N
norman_susdat_id: NS00066773
pubchem_cid: 44146739
name:
Bis[2,3-bis(palmitoyloxy)propyl] 6,12,17,23,28,34,39,45,50,56-decaoxo-9,20,31,42,53-pentakis(palmitoyloxy)-7,11,18,22,29,33,40,44,51,55-decaoxahenhexacontanedioate

inchi:
InChI=1/C201H362O42/c1-10-19-28-37-46-55-64-73-82-91-100-109-118-139-181(202)223-160-174(237-195(216)153-120-111-102-93-84-75-66-57-48-39-30-21-12-3)162-225-183(204)141-127-129-143-185(206)227-164-176(239-197(218)155-122-113-104-95-86-77-68-59-50-41-32-23-14-5)166-229-187(208)145-131-133-147-189(210)231-168-178(241-199(220)157-124-115-106-97-88-79-70-61-52-43-34-25-16-7)170-233-191(212)149-135-137-151-193(214)235-172-180(243-201(222)159-126-117-108-99-90-81-72-63-54-45-36-27-18-9)173-236-194(215)152-138-136-150-192(213)234-171-179(242-200(221)158-125-116-107-98-89-80-71-62-53-44-35-26-17-8)169-232-190(211)148-134-132-146-188(209)230-167-177(240-198(219)156-123-114-105-96-87-78-69-60-51-42-33-24-15-6)165-228-186(207)144-130-128-142-184(205)226-163-175(238-196(217)154-121-112-103-94-85-76-67-58-49-40-31-22-13-4)161-224-182(203)140-119-110-101-92-83-74-65-56-47-38-29-20-11-2/h174-180H,10-173H2,1-9H3

smiles:
O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC


cas: 94333-33-2
dtxsid: DTXSID30915658
formula: C31H70N3O4
inchikey: WKZPLIKOBUENKP-UHFFFAOYSA-K
norman_susdat_id: NS00065882
pubchem_cid: 25076630
smiles: [Cl-].[Cl-].[Cl-].OC(COC(COC(COCCCCCCCCCCCCC)C[N+](C)(C)C)C[N+](C)(C)C)C[N+](C)(C)C
name:
2-[2-hydroxy-3-(trimethylammonio)propoxy]-3-[1-[(tridecyloxy)methyl]-2-(trimethylammonio)ethoxy]propyltrimethylammonium trichloride

inchi:
InChI=1/C31H70N3O4.3ClH/c1-11-12-13-14-15-16-17-18-19-20-21-22-36-27-30(24-33(5,6)7)38-28-31(25-34(8,9)10)37-26-29(35)23-32(2,3)4;;;/h29-31,35H,11-28H2,1-10H3;3*1H/q+3;;;/p-3


name: Tin 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)
cas: 94333-39-8
formula: C5H4N2O4.1/2Sn
inchikey: OVXINTVCUWQBNF-UHFFFAOYSA-L
norman_susdat_id: NS00093036
smiles: [Sn].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C2=CC(=O)NC(=O)N2
inchi:
InChI=1/2C5H4N2O4.Sn.2H/c2*8-3-1-2(4(9)10)6-5(11)7-3;;;/h2*1H,(H,9,10)(H2,6,7,8,11);;;/q;;+4;;/p-2/r2C5H4N2O4.H2Sn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);1H2/q;;+4/p-2


name: Lactic acid, compound with [2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]amine
cas: 94333-45-6
formula: C22H45N3.xC3H6O3
inchikey: UYKRTJXZJJWKHT-UHFFFAOYSA-N
norman_susdat_id: NS00093367
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCN.CC(O)C(=O)O
inchi:
InChI=1/C22H45N3.C3H6O3/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;1-2(4)3(5)6/h2-21,23H2,1H3;2,4H,1H3,(H,5,6)


cas: 94333-46-7
dtxsid: DTXSID50915650
formula: C24H22Cl2N2O9S3
inchikey: MRFHZEPMEHLOAQ-UHFFFAOYSA-L
norman_susdat_id: NS00066379
pubchem_cid: 11971369
name:
Disodium 4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1-[4-[(2-hydroxyethyl)sulphonyl]phenyl]-1H-pyrazol-5-yl]benzene-1,3-disulphonate

inchi:
InChI=1/C24H22Cl2N2O9S3.2Na/c1-14-10-20(25)21(26)12-19(14)22-13-23(18-7-6-17(39(32,33)34)11-24(18)40(35,36)37)28(27-22)15-2-4-16(5-3-15)38(30,31)9-8-29;;/h2-7,10-12,23,29H,8-9,13H2,1H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(=C1)S(=O)(=O)[O-])C2N(N=C(C=3C=C(Cl)C(Cl)=CC3C)C2)C4=CC=C(C=C4)S(=O)(=O)CCO


name: Bis[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl] azelate
cas: 94333-49-0
formula: C41H50N8O8
inchikey: GYBRHQRTUFKPDR-UHFFFAOYSA-N
norman_susdat_id: NS00065892
pubchem_cid: 44154359
inchi:
InChI=1/C41H48N8O8/c1-3-46(36-20-12-32(13-21-36)42-44-34-16-24-38(25-17-34)48(52)53)28-30-56-40(50)10-8-6-5-7-9-11-41(51)57-31-29-47(4-2)37-22-14-33(15-23-37)43-45-35-18-26-39(27-19-35)49(54)55/h12-27H,3-11,28-31H2,1-2H3

smiles:
O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C=C1)CC)CCCCCCCC(=O)OCCN(C3=CC=C(N=NC4=CC=C(C=C4)[N+](=O)[O-])C=C3)CC


name: 1-[(7-bromo-3-hydroxy-2-naphthyl)carbonyl]-4-methylpiperazinium chloride
cas: 94333-53-6
dtxsid: DTXSID20915647
formula: C16H17BrN2O2
inchikey: FETNXPCOICCNAD-UHFFFAOYSA-N
norman_susdat_id: NS00066645
pubchem_cid: 3024327
smiles: [Cl-].O=C(C=1C=C2C=C(Br)C=CC2=CC1O)[NH+]3CCN(C)CC3
inchi:
InChI=1/C16H17BrN2O2.ClH/c1-18-4-6-19(7-5-18)16(21)14-9-12-8-13(17)3-2-11(12)10-15(14)20;/h2-3,8-10,20H,4-7H2,1H3;1H


name: 3-hydroxy-N-[2-(morpholino)ethyl]naphthalene-2-carboxamide hydrochloride
cas: 94333-54-7
dtxsid: DTXSID70241428
formula: C17H20N2O3
inchikey: PLLOCNAZCZMBEV-UHFFFAOYSA-N
norman_susdat_id: NS00065896
pubchem_cid: 3024329
smiles: Cl.O=C(NCCN1CCOCC1)C2=CC=3C=CC=CC3C=C2O
inchi:
InChI=1/C17H20N2O3.ClH/c20-16-12-14-4-2-1-3-13(14)11-15(16)17(21)18-5-6-19-7-9-22-10-8-19;/h1-4,11-12,20H,5-10H2,(H,18,21);1H


cas: 94333-55-8
dtxsid: DTXSID60915646
formula: C40H70N4O14
inchikey: SSYMTHGEWTYMCS-UHFFFAOYSA-N
norman_susdat_id: NS00066646
pubchem_cid: 44146156
smiles: O=C(OCCOC(=O)C(=C)C)NCCC(C)CC(C)(C)CNC(=O)OCCOCCOCCOC(=O)NCC(C)(C)CC(C)CCNC(=O)OCCOC(=O)C(=C)C
name:
Bis[2-(methacryloyloxy)ethyl] 5,7,7,24,24,26-hexamethyl-10,21-dioxo-11,14,17,20-tetraoxa-2,9,22,29-tetraazatriacontanedioate

inchi:
InChI=1/C40H70N4O14/c1-29(2)33(45)53-21-23-57-35(47)41-13-11-31(5)25-39(7,8)27-43-37(49)55-19-17-51-15-16-52-18-20-56-38(50)44-28-40(9,10)26-32(6)12-14-42-36(48)58-24-22-54-34(46)30(3)4/h31-32H,1,3,11-28H2,2,4-10H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)


cas: 94333-56-9
chemspiderid: 10144752
dtxsid: DTXSID20881196
formula: C11H4F16O2
inchikey: GSGMLVXKSLFVQP-UHFFFAOYSA-N
norman_susdat_id: NS00019361
pubchem_cid: 11971371
smiles: FC(F)(F)C(=C1C(F)(OCCOC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
5-Fluoro-5,7,7-tris(trifluoromethyl)-6-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)-1,4-dioxepane

inchi:
InChI=1S/C11H4F16O2/c12-6(11(25,26)27)3(4(7(13,14)15)8(16,17)18)5(9(19,20)21,10(22,23)24)28-1-2-29-6/h1-2H2


name: 1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-proline, compound with piperidine (1:1)
cas: 94333-60-5
formula: C17H20N2O4S.C5H11N
inchikey: XIAWABGWHRCFHB-RSAXXLAASA-N
norman_susdat_id: NS00093037
smiles: CN(C)c1cccc2c(cccc12)S(=O)(=O)N3CCC[C@H]3C(=O)O.C4CCNCC4
inchi:
InChI=1/C17H20N2O4S.C5H11N/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21;1-2-4-6-5-3-1/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21);6H,1-5H2


name: Potassium 2-benzoyl-6-naphthyl sulphate
cas: 94333-61-6
dtxsid: DTXSID30241429
formula: C17H12O5S
inchikey: QDFLHEXSNOIYQU-UHFFFAOYSA-M
norman_susdat_id: NS00066381
pubchem_cid: 1810472
smiles: [K+].O=C(C=1C=CC=CC1)C2=CC=C3C=C(OS(=O)(=O)[O-])C=CC3=C2
inchi:
InChI=1/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1


name: Diethylammonium myristate
cas: 94333-64-9
formula: C14H28O2.C4H11N
inchikey: KPGHZILWDLGBSJ-UHFFFAOYSA-N
norman_susdat_id: NS00093369
smiles: CCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C14H28O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3-5-4-2/h2-13H2,1H3,(H,15,16);5H,3-4H2,1-2H3


name: Lauric acid, compound with diethylamine (1:1)
cas: 94333-65-0
formula: C12H24O2.C4H11N
inchikey: DXOLVFJLHGXXGK-UHFFFAOYSA-N
norman_susdat_id: NS00093370
smiles: CCCCCCCCCCCC(=O)O.CCNCC
inchi:
InChI=1/C12H24O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-4-2/h2-11H2,1H3,(H,13,14);5H,3-4H2,1-2H3


name: (Z)-hex-3-enyl 2-(acetylamino)benzoate
cas: 94333-66-1
formula: C15H19NO3
inchikey: SSWSYYMGBHCUHC-PLNGDYQASA-N
norman_susdat_id: NS00066647
pubchem_cid: 20836335
smiles: O=C(OCCC=CCC)C=1C=CC=CC1NC(=O)C
inchi:
InChI=1/C15H19NO3/c1-3-4-5-8-11-19-15(18)13-9-6-7-10-14(13)16-12(2)17/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,17)


name: N2-[2-[[2-(dodecylamino)ethyl]amino]ethyl]-L-asparagine
cas: 94346-08-4
dtxsid: DTXSID70915632
formula: C20H42N4O3
inchikey: QLXILPUJFJMPMU-SFHVURJKSA-N
norman_susdat_id: NS00065953
pubchem_cid: 44145510
smiles: O=C(N)CC(NCCNCCNCCCCCCCCCCCC)C(=O)O
inchi:
InChI=1/C20H42N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-18(20(26)27)17-19(21)25/h18,22-24H,2-17H2,1H3,(H2,21,25)(H,26,27)


name: Methoxymethylbis[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]silane
cas: 94349-23-2
dtxsid: DTXSID80915628
formula: C22H40O3Si
inchikey: CDDPPEGVOOEXFG-UHFFFAOYSA-N
norman_susdat_id: NS00066634
pubchem_cid: 57356787
smiles: O(C)C[SiH](OC1CC2CCC1(C)C2(C)C)OC3CC4CCC3(C)C4(C)C
inchi:
InChI=1/C22H40O3Si/c1-19(2)15-8-10-21(19,5)17(12-15)24-26(14-23-7)25-18-13-16-9-11-22(18,6)20(16,3)4/h15-18,26H,8-14H2,1-7H3


cas: 94349-29-8
dtxsid: DTXSID60915626
formula: C42H23N3O6
inchikey: JBIQRXVFEUVPMZ-UHFFFAOYSA-N
norman_susdat_id: NS00065832
pubchem_cid: NA
name:
N-[9,10-dihydro-9,10-dioxo-5-[(5,8,13,14-tetrahydro-5,8,14-trioxonaphth[2,3-c]acridin-10-yl)amino]-1-anthryl]benzamide

inchi:
InChI=1/C42H23N3O6/c46-37-23-10-4-5-11-24(23)39(48)35-27(37)17-18-28-36(35)44-30-19-16-22(20-29(30)38(28)47)43-31-14-6-12-25-33(31)40(49)26-13-7-15-32(34(26)41(25)50)45-42(51)21-8-2-1-3-9-21/h1-20,43H,(H,44,47)(H,45,51)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC4=CC=C5NC=6C(=CC=C7C(=O)C=8C=CC=CC8C(=O)C76)C(=O)C5=C4)C=9C=CC=CC9


cas: 94349-33-4
dtxsid: DTXSID20915622
formula: C35H40O15
inchikey: KKIMSRDEQTVCMY-ZJSYQPLQSA-N
norman_susdat_id: NS00065954
pubchem_cid: 44150578
smiles: O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)C=C2OC(C5=CC=C(OC)C(OCC=6C=CC=CC6)=C5)C1
name:
(S)-7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-[4-methoxy-3-(phenylmethoxy)phenyl]-4H-1-benzopyran-4-one

inchi:
InChI=1/C35H40O15/c1-16-28(39)30(41)32(43)34(46-16)50-33-31(42)29(40)26(14-36)49-35(33)47-19-11-20(37)27-21(38)13-23(48-25(27)12-19)18-8-9-22(44-2)24(10-18)45-15-17-6-4-3-5-7-17/h3-12,16,23,26,28-37,39-43H,13-15H2,1-2H3


name: ISOSTEARAMIDOPROPYL EPOXYPROPYL DIMO- NIUM CHLORIDE
cas: 94349-35-6
chemspiderid: 2290284
formula: C26H53N2O2
inchikey: GJWGWFGHNDBFIY-UHFFFAOYSA-O
norman_susdat_id: NS00013795
pubchem_cid: 3024334
smiles: [Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1CO1
inchi:
InChI=1S/C26H52N2O2.ClH/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(29)27-20-17-21-28(3,4)22-25-23-30-25;/h24-25H,5-23H2,1-4H3;1H


name: 15-methylhexadecyl docos-13-enoate
cas: 94349-36-7
formula: C39H76O2
inchikey: IHRNYXRSNHEHHJ-UHFFFAOYSA-N
norman_susdat_id: NS00065955
pubchem_cid: 3024335
smiles: O=C(OCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C39H76O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-39(40)41-37-34-31-28-25-22-19-18-20-23-26-29-32-35-38(2)3/h11-12,38H,4-10,13-37H2,1-3H3


name: N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]salicylamide
cas: 94349-39-0
dtxsid: DTXSID30915618
formula: C17H26N2O2
inchikey: ZRHYJVFRWFDYMK-UHFFFAOYSA-N
norman_susdat_id: NS00065956
pubchem_cid: 3024336
smiles: O=C(NC1CC(C)(C)CC(C)(CN)C1)C=2C=CC=CC2O
inchi:
InChI=1/C17H26N2O2/c1-16(2)8-12(9-17(3,10-16)11-18)19-15(21)13-6-4-5-7-14(13)20/h4-7,12,20H,8-11,18H2,1-3H3,(H,19,21)


name: 5-(4,5-Dihydro-5-oxo-3-((1-oxohexadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid
cas: 94349-41-4
chemspiderid: 2290286
dtxsid: DTXSID60241437
formula: C31H43N3O6S1
inchikey: SSTSDBMLLNZAPW-UHFFFAOYSA-N
norman_susdat_id: NS00040392
pubchem_cid: 3024337
smiles: CCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1cc(c(Oc2ccccc2)cc1)S(=O)(=O)O
inchi:
InChI=1S/C31H43N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(35)32-29-24-31(36)34(33-29)25-21-22-27(28(23-25)41(37,38)39)40-26-18-15-14-16-19-26/h14-16,18-19,21-23H,2-13,17,20,24H2,1H3,(H,32,33,35)(H,37,38,39)


name: 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate
cas: 94349-46-9
formula: C11H16N3O.F6P
inchikey: BCGUDYVHCHZLJM-UHFFFAOYSA-N
norman_susdat_id: NS00093357
smiles: CCN(CCO)c1ccc(cc1C)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C11H16N3O.F6P/c1-3-14(6-7-15)11-5-4-10(13-12)8-9(11)2;1-7(2,3,4,5)6/h4-5,8,15H,3,6-7H2,1-2H3;/q+1;-1


name: 2,5-Diisopropoxy-4-morpholinoaniline
cas: 94349-47-0
chemspiderid: 14337218
dtxsid: DTXSID20241438
formula: C16H26N2O3
inchikey: IBEGKWUMGUSHCY-UHFFFAOYSA-N
norman_susdat_id: NS00040393
pubchem_cid: 3024341
smiles: CC(C)Oc1cc(N)c(OC(C)C)cc1N1CCOCC1
inchi:
InChI=1S/C16H26N2O3/c1-11(2)20-15-10-14(18-5-7-19-8-6-18)16(9-13(15)17)21-12(3)4/h9-12H,5-8,17H2,1-4H3


name: 4-butylphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 94349-48-1
dtxsid: DTXSID30915613
formula: C20H19N2O4S
inchikey: IMVRRGAJJGEOEA-UHFFFAOYSA-N
norman_susdat_id: NS00066355
pubchem_cid: 6366543
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(C=C3)CCCC)C1=O
inchi:
InChI=1/C20H18N2O4S/c1-2-3-5-14-8-10-15(11-9-14)26-27(24,25)19-7-4-6-17-16(19)12-13-18(22-21)20(17)23/h4,6-13H,2-3,5H2,1H3


cas: 94349-49-2
dtxsid: DTXSID70915612
formula: C20H14ClN5O9S2
inchikey: OPOZUTFWOOGCIY-UHFFFAOYSA-K
norman_susdat_id: NS00065853
pubchem_cid: 44154210
name:
Disodium hydrogen 4-[[4-chloro-6-[(8-hydroxy-3,6-disulphonato-1-naphthyl)amino]-1,3,5-triazin-2-yl]amino]benzoate

inchi:
InChI=1/C20H14ClN5O9S2.2Na/c21-18-24-19(22-11-3-1-9(2-4-11)17(28)29)26-20(25-18)23-14-7-12(36(30,31)32)5-10-6-13(37(33,34)35)8-15(27)16(10)14;;/h1-8,27H,(H,28,29)(H,30,31,32)(H,33,34,35)(H2,22,23,24,25,26);;/q;2*+1/p-3

smiles:
[Na+].[Na+].O=C([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC=3C=C(C=C4C=C(C=C(O)C43)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(1-oxopropyl)amino]anthracene-2-sulphonate
cas: 94349-50-5
dtxsid: DTXSID80241439
formula: C17H14N2O6S
inchikey: JHAHDCPFQOBOIT-UHFFFAOYSA-M
norman_susdat_id: NS00065997
pubchem_cid: 3024345
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC(=O)CC
inchi:
InChI=1/C17H14N2O6S.Na/c1-2-12(20)19-10-7-11(26(23,24)25)15(18)14-13(10)16(21)8-5-3-4-6-9(8)17(14)22;/h3-7H,2,18H2,1H3,(H,19,20)(H,23,24,25);/q;+1/p-1


cas: 94349-52-7
chemspiderid: 89104
dtxsid: DTXSID1072973
formula: C28H35N3
inchikey: ULVODSYPARVTIB-UHFFFAOYSA-N
norman_susdat_id: NS00019543
pubchem_cid: 163642
smiles: CC(O)=O.CCNC1=CC=C(C=C1C)C(C1=CC(C)=C(NCC)C=C1)=C1C=CC(=NCC)C(C)=C1
name:
Benzenamine, N-ethyl-4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-2-methyl-, monoacetate

inchi:
InChI=1S/C28H35N3/c1-7-29-25-13-10-22(16-19(25)4)28(23-11-14-26(30-8-2)20(5)17-23)24-12-15-27(31-9-3)21(6)18-24/h10-18,29-30H,7-9H2,1-6H3/b31-27-


name: Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-5-sulphonate
cas: 94349-57-2
formula: C8H9N3O3S2
inchikey: BTQPEECHFUDJPL-UHFFFAOYSA-M
norman_susdat_id: NS00066356
pubchem_cid: 317381
smiles: [K+].O=S(=O)([O-])C1=CC=C2SC(=NN)N(C2=C1)C
inchi:
InChI=1/C8H9N3O3S2.K/c1-11-6-4-5(16(12,13)14)2-3-7(6)15-8(11)10-9;/h2-4H,9H2,1H3,(H,12,13,14);/q;+1/p-1


name: Jnj-38877605
cas: 943540-75-8
chebiid: CHEBI:91417
dtxsid: DTXSID20677253
formula: C19H13F2N7
inchikey: JRWCBEOAFGHNNU-UHFFFAOYSA-N
norman_susdat_id: NS00072519
pubchem_cid: 46911863
smiles: Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
inchi:
InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3


name: 16-[[(1S)-1-carboxy-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-butyl]amino]-16-oxo-hexadecanoic acid
cas: 943586-12-7
chemspiderid: NA
formula: C25H40N2O9
inchikey: VIODGMQNVVFBFM-IBGZPJMESA-N
norman_susdat_id: NS00005254
pubchem_cid: 57611733
smiles: OC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(O)=O
inchi:
InChI=1S/C25H40N2O9/c28-20(13-11-9-7-5-3-1-2-4-6-8-10-12-14-23(31)32)26-19(25(34)35)15-18-24(33)36-27-21(29)16-17-22(27)30/h19H,1-18H2,(H,26,28)(H,31,32)(H,34,35)/t19-/m0/s1


name: Cyproconazole
cas: 94361-06-5
chebiid: CHEBI:83748
chemspiderid: 77706
dtxsid: DTXSID0032601
formula: C15H18Cl1N3O1
inchikey: UFNOUKDBUJZYDE-UHFFFAOYSA-N
norman_susdat_id: NS00000117
pubchem_cid: 86132
smiles: CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
inchi:
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3


name: Chlorimuron-ethyl
cas: 94365-91-0
chebiid: CHEBI:47319
chemspiderid: 50690
dtxsid: DTXSID0023955
formula: C15H15Cl1N4O6S1
inchikey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
norman_susdat_id: NS00000106
pubchem_cid: 56160
smiles: CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
inchi:
InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)


name: Halauxifen-methyl [ISO]
cas: 943831-98-9
chebiid: CHEBI:143513
dtxsid: DTXSID50241446
formula: C14H11Cl2FN2O3
inchikey: KDHKOPYYWOHESS-UHFFFAOYSA-N
norman_susdat_id: NS00066823
pubchem_cid: 16656802
smiles: COC(=O)C1=C(Cl)C(N)=CC(=N1)C1=C(F)C(OC)=C(Cl)C=C1
inchi:
InChI=1S/C14H11Cl2FN2O3/c1-21-13-7(15)4-3-6(11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2/h3-5H,1-2H3,(H2,18,19)


cas: 94386-12-6
formula: C32H41NO16.C7H8ClN3O4S2
inchikey: FIDVACMKTVRETK-HURBHPHBSA-N
norman_susdat_id: NS00093390
name:
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide, compd. with 3-[[6-O-(6-deoxy-a-l-mannopyranosyl)-ß-d-glucopyranosyl]oxy]-6-[(diethylamino)methyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (1:1)

inchi:
InChI=1/C32H41NO16.C7H8ClN3O4S2/c1-4-33(5-2)10-14-16(35)9-18-20(22(14)38)24(40)30(29(47-18)13-6-7-15(34)17(36)8-13)49-32-28(44)26(42)23(39)19(48-32)11-45-31-27(43)25(41)21(37)12(3)46-31;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h6-9,12,19,21,23,25-28,31-32,34-39,41-44H,4-5,10-11H2,1-3H3;1-2,10-11H,3H2,(H2,9,12,13)

smiles:
CCN(CC)Cc1c(O)cc2OC(=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)c2c1O)c5ccc(O)c(O)c5.NS(=O)(=O)c6cc7c(NCNS7(=O)=O)cc6Cl


name: 2,6-bis[(1-methyl-1H-pyrrol-2-yl)methylene]cyclohexan-1-one
cas: 94386-21-7
formula: C18H20N2O
inchikey: VTZLPXIVTAFLQG-UHFFFAOYSA-N
norman_susdat_id: NS00066682
pubchem_cid: 216435
smiles: O=C1C(=CC2=CC=CN2C)CCCC1=CC3=CC=CN3C
inchi:
InChI=1/C18H20N2O/c1-19-10-4-8-16(19)12-14-6-3-7-15(18(14)21)13-17-9-5-11-20(17)2/h4-5,8-13H,3,6-7H2,1-2H3


name: 2,6-bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one
cas: 94386-22-8
formula: C16H16N2O
inchikey: UKIUACHVRRQMGB-DCIPZJNNSA-N
norman_susdat_id: NS00066417
pubchem_cid: 6445552
smiles: O=C1C(=CC2=CC=CN2)CCCC1=CC3=CC=CN3
inchi:
InChI=1/C16H16N2O/c19-16-12(10-14-6-2-8-17-14)4-1-5-13(16)11-15-7-3-9-18-15/h2-3,6-11,17-18H,1,4-5H2


name: 2,2'-(3-(Butylthio)propylidene)bis(4-(tert-butyl)-o-cresol)
cas: 94386-23-9
chemspiderid: 2301981
dtxsid: DTXSID60241452
formula: C29H44O2S1
inchikey: RUDLILYTSYUHAF-UHFFFAOYSA-N
norman_susdat_id: NS00040395
pubchem_cid: 3038406
smiles: CCCCSCCC(C1=C(O)C(C)=CC(=C1)C(C)(C)C)C1=C(O)C(C)=CC(=C1)C(C)(C)C
inchi:
InChI=1S/C29H44O2S/c1-10-11-13-32-14-12-23(24-17-21(28(4,5)6)15-19(2)26(24)30)25-18-22(29(7,8)9)16-20(3)27(25)31/h15-18,23,30-31H,10-14H2,1-9H3


name: Disodium 4-amino-5-hydroxy-3,6-bis[[4-[(4-hydroxyphenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
cas: 94386-24-0
formula: C34H25N9O9S2
inchikey: DNVHYHYYCPBMDM-UHFFFAOYSA-L
norman_susdat_id: NS00066683
pubchem_cid: NA
inchi:
InChI=1/C34H25N9O9S2.2Na/c35-31-30-19(17-28(53(47,48)49)32(31)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(44)14-10-24)18-29(54(50,51)52)33(34(30)46)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(45)16-12-25;;/h1-18,44-46H,35H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4)C=C3)C(N)=C2C(O)=C1N=NC5=CC=C(N=NC6=CC=C(O)C=C6)C=C5)S(=O)(=O)[O-]


cas: 94386-25-1
formula: C36H29N10O15S4
inchikey: GVCKRNAGXPCVBW-VRZBPFSNSA-J
norman_susdat_id: NS00066418
pubchem_cid: 135853778
name:
Tetralithium 4-amino-6-[[4-[2-[4-[(2,4-diaminophenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H28N10O15S4.4Li/c37-21-5-12-27(26(38)15-21)43-41-23-6-3-18(28(16-23)62(50,51)52)1-2-19-4-7-24(17-29(19)63(53,54)55)42-45-35-31(65(59,60)61)14-20-13-30(64(56,57)58)34(33(39)32(20)36(35)47)44-40-22-8-10-25(11-9-22)46(48)49;;;;/h1-17,47H,37-39H2,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC4=CC=C(C=CC5=CC=C(N=NC6=CC=C(N)C=C6N)C=C5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Sodium p-[[5-[(3-acetamidophenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate
cas: 94386-26-2
formula: C20H17N5O6S
inchikey: ZGQIITAEWAAMKD-UHFFFAOYSA-M
norman_susdat_id: NS00066685
pubchem_cid: NA
smiles: [Na+].O=C(NC=1C=CC=C(N=NC2=CC(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])=C(O)C=C2O)C1)C
inchi:
InChI=1/C20H17N5O6S.Na/c1-12(26)21-14-3-2-4-15(9-14)23-25-18-10-17(19(27)11-20(18)28)24-22-13-5-7-16(8-6-13)32(29,30)31;/h2-11,27-28H,1H3,(H,21,26)(H,29,30,31);/q;+1/p-1


name: Sodium hydrogen 3-methyl-5-[(4-sulphonatophenyl)azo]salicylate
cas: 94386-28-4
formula: C14H12N2O6S.Na
inchikey: NLMDKRTVJRKEPE-UHFFFAOYSA-M
norman_susdat_id: NS00093391
smiles: [H+].[Na+].Cc2cc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc(C([O-])=O)c2O
inchi:
InChI=1/C14H12N2O6S.Na.H2/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22;;/h2-7,17H,1H3,(H,18,19)(H,20,21,22);;1H/q;2*+1/p-2


name: Sodium 2-[(3,6,9,12,15,18,21,24,27,30-decaoxaoctatetracont-39-enyl)oxy]-2-oxoethane-1-sulphonate
cas: 94386-35-3
formula: C40H78O15S
inchikey: YYASUNJBAKAUBD-UHFFFAOYSA-M
norman_susdat_id: NS00066420
pubchem_cid: 53437978
smiles: [Na+].O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC)CS(=O)(=O)[O-]
inchi:
InChI=1/C40H78O15S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-45-19-20-46-21-22-47-23-24-48-25-26-49-27-28-50-29-30-51-31-32-52-33-34-53-35-36-54-37-38-55-40(41)39-56(42,43)44;/h9-10H,2-8,11-39H2,1H3,(H,42,43,44);/q;+1/p-1


name: Sodium 2-[(3,6,9,12,15-pentaoxatritriacont-24-enyl)oxy]-2-oxoethane-1-sulphonate
cas: 94386-36-4
formula: C30H58O10S
inchikey: BRYCZXOXNZOUHR-UHFFFAOYSA-M
norman_susdat_id: NS00066126
pubchem_cid: NA
smiles: [Na+].O=C(OCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC)CS(=O)(=O)[O-]
inchi:
InChI=1/C30H58O10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-19-20-36-21-22-37-23-24-38-25-26-39-27-28-40-30(31)29-41(32,33)34;/h9-10H,2-8,11-29H2,1H3,(H,32,33,34);/q;+1/p-1


name: Sodium 1-[2-[2-[2-(octadec-9-enyloxy)ethoxy]ethoxy]ethyl] sulphonatoacetate
cas: 94386-37-5
formula: C26H50O8S
inchikey: GXNWSEIJFSCISK-UHFFFAOYSA-M
norman_susdat_id: NS00066127
pubchem_cid: NA
smiles: [Na+].O=C(OCCOCCOCCOCCCCCCCCC=CCCCCCCCC)CS(=O)(=O)[O-]
inchi:
InChI=1/C26H50O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19-20-32-21-22-33-23-24-34-26(27)25-35(28,29)30;/h9-10H,2-8,11-25H2,1H3,(H,28,29,30);/q;+1/p-1


name: Sodium 2-[(3,6,9,12,15,18,21-heptaoxanonatriacont-30-enyl)oxy]-2-oxoethane-1-sulphonate
cas: 94386-38-6
formula: C34H66O12S
inchikey: KBKZYRWUYTYSKU-UHFFFAOYSA-M
norman_susdat_id: NS00066421
pubchem_cid: NA
smiles: [Na+].O=C(OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCC=CCCCCCCCC)CS(=O)(=O)[O-]
inchi:
InChI=1/C34H66O12S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-39-19-20-40-21-22-41-23-24-42-25-26-43-27-28-44-29-30-45-31-32-46-34(35)33-47(36,37)38;/h9-10H,2-8,11-33H2,1H3,(H,36,37,38);/q;+1/p-1


name: 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid
cas: 94386-43-3
chemspiderid: 187591
dtxsid: DTXSID40241455
formula: C33H44N2O7
inchikey: AZOTVGZNUKURSS-UHFFFAOYSA-N
norman_susdat_id: NS00040396
pubchem_cid: 216430
smiles: CCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
inchi:
InChI=1S/C33H44N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(37)34-27-18-16-24(17-19-27)29(36)23-31(38)35-28-21-25(32(39)40)20-26(22-28)33(41)42/h16-22H,2-15,23H2,1H3,(H,34,37)(H,35,38)(H,39,40)(H,41,42)


cas: 94386-44-4
formula: C18H15ClN2OS3
inchikey: GGZCNFWOKAWLEU-UHFFFAOYSA-N
norman_susdat_id: NS00066128
pubchem_cid: 216419
smiles: O=C1C(SC(=S)N1CC=C)=CC(Cl)=CC=C2SC=3C=CC=CC3N2C
name:
3-allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one

inchi:
InChI=1/C18H15ClN2OS3/c1-3-10-21-17(22)15(25-18(21)23)11-12(19)8-9-16-20(2)13-6-4-5-7-14(13)24-16/h3-9,11H,1,10H2,2H3


name: Disodium 3-[[4-(acetylamino)phenyl]azo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
cas: 94386-47-7
formula: C24H20N6O8S2
inchikey: OJIOURLXQNHTHO-UHFFFAOYSA-L
norman_susdat_id: NS00066423
pubchem_cid: 135666669
inchi:
InChI=1/C24H20N6O8S2.2Na/c1-13(31)26-15-7-9-17(10-8-15)28-29-22-18(39(33,34)35)11-14-12-19(40(36,37)38)23(24(32)20(14)21(22)25)30-27-16-5-3-2-4-6-16;;/h2-12,32H,25H2,1H3,(H,26,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

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


name: Methyl 2-(cinnamylideneamino)benzoate.
cas: 94386-48-8
chemspiderid: 4949249
formula: C17H15N1O2
inchikey: OOJFPYZBLJTFST-CVUDBVLYSA-N
norman_susdat_id: NS00012092
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CC=Cc2ccccc2
inchi:
InChI=1S/C17H15NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-13H,1H3/b10-7+,18-13?


cas: 94386-49-9
formula: C29H18Cl2N8O11S3
inchikey: REZFNOACKXSQGH-UHFFFAOYSA-N
norman_susdat_id: NS00093102
name:
8-amino-5-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid

inchi:
InChI=1/C29H18Cl2N8O11S3/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37)

smiles:
Clc6nc(Nc5ccc(N=Nc4ccc(Nc3cc(c(N)c2C(=O)c1c(cccc1C(=O)c23)S(O)(=O)=O)S(O)(=O)=O)cc4)c(c5)S(O)(=O)=O)nc(Cl)n6


name: Ethyl 2-(p-tert-butylphenoxy)tetradecanoate
cas: 94386-50-2
dtxsid: DTXSID00915569
formula: C26H44O3
inchikey: UGKIYNOAGXCLFG-UHFFFAOYSA-N
norman_susdat_id: NS00066424
pubchem_cid: 216427
smiles: O=C(OCC)C(OC1=CC=C(C=C1)C(C)(C)C)CCCCCCCCCCCC
inchi:
InChI=1/C26H44O3/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(27)28-7-2)29-23-20-18-22(19-21-23)26(3,4)5/h18-21,24H,6-17H2,1-5H3


name: 1-O-[2-hydroxy-3-[[2-[oleoylamino]ethyl]amino]propyl]-D-glucitol
cas: 94386-51-3
formula: C29H58N2O8
inchikey: RTKPALKEXAMRNE-ATNKCMTKSA-N
norman_susdat_id: NS00066432
pubchem_cid: 6445550
smiles: O=C(NCCNCC(O)COCC(O)C(O)C(O)C(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C29H58N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)31-19-18-30-20-24(33)22-39-23-26(35)29(38)28(37)25(34)21-32/h9-10,24-26,28-30,32-35,37-38H,2-8,11-23H2,1H3,(H,31,36)


name: 1-O-[2-hydroxy-3-[methyloleoylamino]propyl]-D-glucitol
cas: 94386-52-4
formula: C28H55NO8
inchikey: VJHYYBIDDWKXPB-HTTMTSDPSA-N
norman_susdat_id: NS00066130
pubchem_cid: 6445548
smiles: O=C(N(C)CC(O)COCC(O)C(O)C(O)C(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H55NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(34)29(2)19-23(31)21-37-22-25(33)28(36)27(35)24(32)20-30/h10-11,23-25,27-28,30-33,35-36H,3-9,12-22H2,1-2H3


name: 1-O-[2-hydroxy-3-[oleoylamino]propyl]-D-glucitol
cas: 94386-53-5
formula: C27H53NO8
inchikey: ZPSCSAIKLXAING-GWOKGXJXSA-N
norman_susdat_id: NS00065995
pubchem_cid: 6445549
smiles: O=C(NCC(O)COCC(O)C(O)C(O)C(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H53NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)28-18-22(30)20-36-21-24(32)27(35)26(34)23(31)19-29/h9-10,22-24,26-27,29-32,34-35H,2-8,11-21H2,1H3,(H,28,33)


name: 2,2'-(1,3,4-Thiadiazole-2,5-diylbis(dithio))bis(4-dodecylphenol)
cas: 94386-59-1
chemspiderid: 163522
dtxsid: DTXSID00241456
formula: C38H58N2O2S5
inchikey: PMQMHBDOSZSSTH-UHFFFAOYSA-N
norman_susdat_id: NS00040397
pubchem_cid: 216425
smiles: CCCCCCCCCCCCC1=CC(SSC2=NN=C(SSC3=C(O)C=CC(CCCCCCCCCCCC)=C3)S2)=C(O)C=C1
inchi:
InChI=1S/C38H58N2O2S5/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(41)35(29-31)44-46-37-39-40-38(43-37)47-45-36-30-32(26-28-34(36)42)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,41-42H,3-24H2,1-2H3


name: 6:2/8:2 Fluorotelomer phosphate diester
cas: 943913-15-3
chemspiderid: NA
dtxsid: DTXSID20873415
formula: C18H9F30O4P1
inchikey: KHLRYLUKBJEYFH-UHFFFAOYSA-N
norman_susdat_id: NS00010956
pubchem_cid: 101536705
inchi:
InChI=1S/C18H9F30O4P/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-51-53(49,50)52-4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h1-4H2,(H,49,50)

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


name: 1,6-bis(trimethoxysilanylethyl)perfluorohexane
cas: 94403-04-0
dtxsid: DTXSID90893302
formula: C16H26F12O6Si2
inchikey: JYMBVDSMIYOOKM-UHFFFAOYSA-N
norman_susdat_id: NS00112046
smiles: CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC)(OC)OC
inchi:
InChI=1S/C16H26F12O6Si2/c1-29-35(30-2,31-3)9-7-11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-10-36(32-4,33-5)34-6/h7-10H2,1-6H3


name: Diethylammonium (Z)-hexadec-9-enoate
cas: 94405-93-3
formula: C16H30O2.C4H11N
inchikey: AMLAAJUSPWAEGI-CFYXSCKTSA-N
norman_susdat_id: NS00093395
smiles: CCCCCC\C=C/CCCCCCCC(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C16H30O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-5-4-2/h7-8H,2-6,9-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3


name: Diethylammonium palmitate
cas: 94405-94-4
formula: C16H32O2.C4H11N
inchikey: VSZRCQZFSMQWCK-UHFFFAOYSA-N
norman_susdat_id: NS00093234
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C16H32O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-5-4-2/h2-15H2,1H3,(H,17,18);5H,3-4H2,1-2H3


name: Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate
cas: 94405-96-6
chemspiderid: 21167500
dtxsid: DTXSID00241471
formula: C11H18O8
inchikey: XLUDPIYTXVEGSE-FZHDAFOHSA-N
norman_susdat_id: NS00040400
pubchem_cid: 71301270
smiles: COC(=O)CC(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C11H18O8/c1-18-8(14)3-5(13)2-6-9(15)11(17)10(16)7(4-12)19-6/h6-7,9-12,15-17H,2-4H2,1H3/t6-,7+,9-,10+,11+/m0/s1


name: (17ß)-17-allyl-3-methoxyandrosta-3,5-dien-17-ol
cas: 94405-98-8
formula: C23H34O2
inchikey: JTTKTCASGWBFIW-KOORYGTMSA-N
norman_susdat_id: NS00065755
pubchem_cid: 13506306
smiles: OC1(CC=C)CCC2C3CC=C4C=C(OC)CCC4(C)C3CCC21C
inchi:
InChI=1/C23H34O2/c1-5-11-23(24)14-10-20-18-7-6-16-15-17(25-4)8-12-21(16,2)19(18)9-13-22(20,23)3/h5-6,15,18-20,24H,1,7-14H2,2-4H3


name: (17ß)-3-methoxy-17-propylandrosta-3,5-dien-17-ol
cas: 94405-99-9
formula: C23H36O2
inchikey: ZCJDRIHZLNGEBB-KOORYGTMSA-N
norman_susdat_id: NS00065756
pubchem_cid: 44145507
smiles: OC1(CCC)CCC2C3CC=C4C=C(OC)CCC4(C)C3CCC21C
inchi:
InChI=1/C23H36O2/c1-5-11-23(24)14-10-20-18-7-6-16-15-17(25-4)8-12-21(16,2)19(18)9-13-22(20,23)3/h6,15,18-20,24H,5,7-14H2,1-4H3


name: 1-(1,3-diphenylbutyl)-3-ethylbenzene
cas: 94406-00-5
dtxsid: DTXSID10915555
formula: C24H26
inchikey: RLZRRIOPWXPUDM-UHFFFAOYSA-N
norman_susdat_id: NS00066283
pubchem_cid: 3024351
smiles: C=1C=CC(=CC1)C(C=2C=CC=C(C2)CC)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-3-20-11-10-16-23(18-20)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,18-19,24H,3,17H2,1-2H3


cas: 94406-06-1
dtxsid: DTXSID90915553
formula: C15H14O7
inchikey: OGUZKYNNZWHJGS-UHFFFAOYSA-N
norman_susdat_id: NS00065837
pubchem_cid: 44153070
smiles: O=C1C2=C(N=CN2C)N(C(=O)N1C)C.OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2O)C1
name:
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, compound with 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

inchi:
InChI=1/C15H14O7.C8H10N4O2/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h1-5,13-21H;4H,1-3H3


name: trans-4'-(4-propylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile
cas: 94412-40-5
dtxsid: DTXSID00915549
formula: C22H25N
inchikey: CRCASZFDSWMENA-UHFFFAOYSA-N
norman_susdat_id: NS00066622
pubchem_cid: 11335700
smiles: N#CC=1C=CC(=CC1)C2=CC=C(C=C2)C3CCC(CCC)CC3
inchi:
InChI=1/C22H25N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-15,17,19H,2-5,8-9H2,1H3


cas: 94413-32-8
dtxsid: DTXSID90896252
formula: C18H15F13O3S
inchikey: MCQWLLPAXMDAIY-UHFFFAOYSA-N
norman_susdat_id: NS00112154
smiles: CC1C2CC(C1SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1C2C(=O)OC1=O
name:
5-Methyl-6-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]hexahydro-4,7-methano-2-benzofuran-1,3-dione

inchi:
InChI=1/C18H15F13O3S/c1-5-6-4-7(9-8(6)11(32)34-12(9)33)10(5)35-3-2-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h5-10H,2-4H2,1H3


name: Anandamide (AEA)
cas: 94421-68-8
chebiid: CHEBI:2700
chemspiderid: 4445241
formula: C22H37N1O2
inchikey: LGEQQWMQCRIYKG-DOFZRALJSA-N
norman_susdat_id: NS00015003
pubchem_cid: 5281969
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
inchi:
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-


name: N-(2-hydroxyethyl)icosanamide
cas: 94421-69-9
chebiid: CHEBI:85253
chemspiderid: 3015157
dtxsid: DTXSID10396406
formula: C22H45N1O2
inchikey: AUJVQJHODMISJP-UHFFFAOYSA-N
norman_susdat_id: NS00015207
pubchem_cid: 3787294
smiles: CCCCCCCCCCCCCCCCCCCC(=O)NCCO
inchi:
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)


name: 3,7,11,15-tetramethyl-2-hexadecenyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 94424-70-1
formula: C38H70O2
inchikey: AZVBWBSWMFXNTB-FPYNWASBSA-N
norman_susdat_id: NS00065838
pubchem_cid: 53425385
smiles: O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C38H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h11-12,14-15,32,34-36H,7-10,13,16-31,33H2,1-6H3


cas: 944241-52-5
chemspiderid: 76318
dtxsid: DTXSID00747822
formula: C24H32N6O3
inchikey: BNQTXDVBJLRWNB-UHFFFAOYSA-N
norman_susdat_id: NS00014951
pubchem_cid: 71316925
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)CC)OCC)C
name:
5-[2-Ethoxy-5-(4-ethylpiperazine-1-carbonyl)phenyl]-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

inchi:
InChI=1S/C24H32N6O3/c1-5-8-18-20-21(28(4)27-18)23(31)26-22(25-20)17-15-16(9-10-19(17)33-7-3)24(32)30-13-11-29(6-2)12-14-30/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,31)


name: (Z)-12-hydroxy-N-[2-[(2-hydroxyethyl)amino]ethyl]-9-octadecenamide
cas: 94425-50-0
formula: C22H44N2O3
inchikey: MXWVBGZSOBZROQ-XFXZXTDPSA-N
norman_susdat_id: NS00066623
pubchem_cid: 20836336
smiles: O=C(NCCNCCO)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C22H44N2O3/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)24-18-17-23-19-20-25/h9,12,21,23,25-26H,2-8,10-11,13-20H2,1H3,(H,24,27)


name: 9,11a-epoxy-17-hydroxypregn-4-ene-3,20-dione 17-acetate
cas: 94425-51-1
dtxsid: DTXSID40915543
formula: C23H30O5
inchikey: UHRIXJLDCNOZKI-WBIUVFFSSA-N
norman_susdat_id: NS00065839
pubchem_cid: 93484758
smiles: O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C53OC5CC21C)C
inchi:
InChI=1/C23H30O5/c1-13(24)22(27-14(2)25)10-8-17-18-6-5-15-11-16(26)7-9-20(15,3)23(18)19(28-23)12-21(17,22)4/h11,17-19H,5-10,12H2,1-4H3


name: 1-phenyl-1-(2-phenylpropyl)indan
cas: 94441-87-9
dtxsid: DTXSID00915529
formula: C24H24
inchikey: IMTUFPZDVRZSBQ-UHFFFAOYSA-N
norman_susdat_id: NS00065778
pubchem_cid: 3024353
smiles: C=1C=CC(=CC1)C(C)CC2(C=3C=CC=CC3)C=4C=CC=CC4CC2
inchi:
InChI=1/C24H24/c1-19(20-10-4-2-5-11-20)18-24(22-13-6-3-7-14-22)17-16-21-12-8-9-15-23(21)24/h2-15,19H,16-18H2,1H3


name: (S)-N-[3-methyl-1-[(2-naphthylamino)carbonyl]butyl]benzamide
cas: 94441-89-1
chebiid: CHEBI:90743
dtxsid: DTXSID40915528
formula: C23H24N2O2
inchikey: QTJKADZPYFJSEQ-NRFANRHFSA-N
norman_susdat_id: NS00066285
pubchem_cid: 21149849
smiles: O=C(NC(C(=O)NC=1C=CC=2C=CC=CC2C1)CC(C)C)C=3C=CC=CC3
inchi:
InChI=1/C23H24N2O2/c1-16(2)14-21(25-22(26)18-9-4-3-5-10-18)23(27)24-20-13-12-17-8-6-7-11-19(17)15-20/h3-13,15-16,21H,14H2,1-2H3,(H,24,27)(H,25,26)


name: .beta.-Alanine, N-(2-carboxyethyl)-N-(2-ethylhexyl)-, sodium salt (1:1)
cas: 94441-92-6
chemspiderid: 21167506
dtxsid: DTXSID60888740
formula: C14H27N1O4
inchikey: WVQFKDGIJVWORA-UHFFFAOYSA-M
norman_susdat_id: NS00019398
pubchem_cid: 87773104
smiles: CCCCC(CC)CN(CCC(=O)O)CCC(=O)[O-].[Na+]
inchi:
InChI=1S/C14H27NO4/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1


name: 1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-tryptophan, compound with cyclohexylamine (1:1)
cas: 94441-94-8
dtxsid: DTXSID60915525
formula: C23H23N3O4S
inchikey: YFSSLBOCIQZKDG-FYZYNONXSA-N
norman_susdat_id: NS00066624
pubchem_cid: NA
smiles: O=C(O)C(N)CC1=CN(C=2C=CC=CC21)S(=O)(=O)C3=CC=CC=4C3=CC=CC4N(C)C.NC1CCCCC1
inchi:
InChI=1/C23H23N3O4S.C6H13N/c1-25(2)20-11-5-9-18-17(20)8-6-12-22(18)31(29,30)26-14-15(13-19(24)23(27)28)16-7-3-4-10-21(16)26;7-6-4-2-1-3-5-6/h3-12,14,19H,13,24H2,1-2H3,(H,27,28);6H,1-5,7H2


name: N6-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-lysine, compound with cyclohexylamine (1:1)
cas: 94441-95-9
dtxsid: DTXSID00915524
formula: C18H25N3O4S
inchikey: XMJGSIBZVYMUQR-RSAXXLAASA-N
norman_susdat_id: NS00065780
pubchem_cid: 44149296
smiles: O=C(O)C(N)CCCCNS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C.NC1CCCCC1
inchi:
InChI=1/C18H25N3O4S.C6H13N/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23;7-6-4-2-1-3-5-6/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23);6H,1-5,7H2


name: 2-[[3-[4-(benzyl)-1-piperazinyl]propyl]thio]-1H-indole monohydrochloride
cas: 94441-96-0
dtxsid: DTXSID70241488
formula: C22H27N3S
inchikey: NLSGHWHLZQAOCD-UHFFFAOYSA-N
norman_susdat_id: NS00065781
pubchem_cid: 1811379
smiles: Cl.S(C1=CC=2C=CC=CC2N1)CCCN3CCN(CC=4C=CC=CC4)CC3
inchi:
InChI=1/C22H27N3S.ClH/c1-2-7-19(8-3-1)18-25-14-12-24(13-15-25)11-6-16-26-22-17-20-9-4-5-10-21(20)23-22;/h1-5,7-10,17,23H,6,11-16,18H2;1H


name: 1,2,4,5-Tetrabromo-3,6-bis((pentabromophenoxy)methyl)benzene
cas: 94441-97-1
chemspiderid: 2290300
dtxsid: DTXSID30241489
formula: C20H4Br14O2
inchikey: COCIGRUDDLZNTQ-UHFFFAOYSA-N
norman_susdat_id: NS00040402
pubchem_cid: 3024357
smiles: Brc1c(Br)c(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br
inchi:
InChI=1S/C20H4Br14O2/c21-5-3(1-35-19-15(31)11(27)9(25)12(28)16(19)32)6(22)8(24)4(7(5)23)2-36-20-17(33)13(29)10(26)14(30)18(20)34/h1-2H2


name: Bis(pentabromobenzyl) tetrabromoterephthalate
cas: 94441-98-2
formula: C22H4Br14O4
inchikey: RIYVASNPCAGQKQ-UHFFFAOYSA-N
norman_susdat_id: NS00066286
pubchem_cid: 20836337
smiles: O=C(OCC=1C(Br)=C(Br)C(Br)=C(Br)C1Br)C2=C(Br)C(Br)=C(C(=O)OCC=3C(Br)=C(Br)C(Br)=C(Br)C3Br)C(Br)=C2Br
inchi:
InChI=1/C22H4Br14O4/c23-7-3(8(24)16(32)19(35)15(7)31)1-39-21(37)5-11(27)13(29)6(14(30)12(5)28)22(38)40-2-4-9(25)17(33)20(36)18(34)10(4)26/h1-2H2


cas: 94442-04-3
formula: C19H21N5O10S3.2Na
inchikey: MNABGPUTAQMCFX-UHFFFAOYSA-L
norman_susdat_id: NS00092930
smiles: [Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c3cc(N=Nc2c(C)nn(c1ccc(cc1)S([O-])(=O)=O)c2N)c(OC)cc3
name:
Disodium 4-[5-amino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H21N5O10S3.2Na/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11H,9-10,20H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: 2-chloro-4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone
cas: 94442-05-4
formula: C27H26ClN3
inchikey: HMZSFCDBWLRHQN-ZTKZIYFRSA-N
norman_susdat_id: NS00065782
pubchem_cid: 13796490
smiles: ClC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43)N(CC)CC
inchi:
InChI=1/C27H26ClN3/c1-3-30(4-2)24-18-17-22(26(28)19-24)20-29-31(23-13-6-5-7-14-23)27-16-10-12-21-11-8-9-15-25(21)27/h5-20H,3-4H2,1-2H3


name: 3-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 94442-08-7
dtxsid: DTXSID80915522
formula: C30H64N4O3
inchikey: DANIXADHBKGCBH-UHFFFAOYSA-N
norman_susdat_id: NS00065840
pubchem_cid: 16206129
smiles: O=C(OCC(O)CNCCNCCNCCN)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C30H64N4O3/c1-4-6-8-10-12-14-16-18-30(3,19-17-15-13-11-9-7-5-2)29(36)37-27-28(35)26-34-25-24-33-23-22-32-21-20-31/h28,32-35H,4-27,31H2,1-3H3


name: 3-[[[4-(aminomethyl)phenyl]methyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 94442-09-8
dtxsid: DTXSID20915521
formula: C32H58N2O3
inchikey: CSLBKKVVQPUUAS-UHFFFAOYSA-N
norman_susdat_id: NS00065783
pubchem_cid: 16206130
smiles: O=C(OCC(O)CNCC1=CC=C(C=C1)CN)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C32H58N2O3/c1-4-6-8-10-12-14-16-22-32(3,23-17-15-13-11-9-7-5-2)31(36)37-27-30(35)26-34-25-29-20-18-28(24-33)19-21-29/h18-21,30,34-35H,4-17,22-27,33H2,1-3H3


name: 4-anilino-2-[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]but-2-enenitrile
cas: 94442-11-2
formula: C21H24N2O4
inchikey: BUHRJFWLDBHDOO-UHFFFAOYSA-N
norman_susdat_id: NS00065784
pubchem_cid: 3024364
smiles: N#CC(=CCNC=1C=CC=CC1)C2=CC(OC)=C(OCCOC)C(OC)=C2
inchi:
InChI=1/C21H24N2O4/c1-24-11-12-27-21-19(25-2)13-17(14-20(21)26-3)16(15-22)9-10-23-18-7-5-4-6-8-18/h4-9,13-14,23H,10-12H2,1-3H3


name: 1-[2-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethyl]pyridinium chloride
cas: 94442-15-6
formula: C19H22N6O2S
inchikey: SFVJQOCMVYOFEV-UHFFFAOYSA-M
norman_susdat_id: NS00066625
pubchem_cid: 25076634
smiles: [Cl-].O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2C)N(CC)CC[N+]=3C=CC=CC3)=NC1
inchi:
InChI=1/C19H21N6O2S.ClH/c1-3-24(12-11-23-9-5-4-6-10-23)16-7-8-17(15(2)13-16)21-22-19-20-14-18(28-19)25(26)27;/h4-10,13-14H,3,11-12H2,1-2H3;1H/q+1;/p-1


name: 4-(2-methylbutyl)phenyl (S)-4-propylbenzoate
cas: 94442-17-8
dtxsid: DTXSID20888741
formula: C21H26O2
inchikey: ZBKMFXVASLCFKC-INIZCTEOSA-N
norman_susdat_id: NS00065860
pubchem_cid: 175614
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(C=C2)CCC
inchi:
InChI=1/C21H26O2/c1-4-6-17-7-11-19(12-8-17)21(22)23-20-13-9-18(10-14-20)15-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3


name: 4,4''-(3H-2,1-benzoxathiol-3-ylidene)bis[[1,1'-biphenyl]-2-ol] S,S-dioxide
cas: 94442-18-9
dtxsid: DTXSID70915516
formula: C31H22O5S
inchikey: VYWRHJRBZGVGCI-UHFFFAOYSA-N
norman_susdat_id: NS00066315
pubchem_cid: 44149274
smiles: O=S1(=O)OC(C=2C=CC(=C(O)C2)C=3C=CC=CC3)(C=4C=CC(=C(O)C4)C=5C=CC=CC5)C=6C=CC=CC61
inchi:
InChI=1/C31H22O5S/c32-28-19-23(15-17-25(28)21-9-3-1-4-10-21)31(27-13-7-8-14-30(27)37(34,35)36-31)24-16-18-26(29(33)20-24)22-11-5-2-6-12-22/h1-20,32-33H


name: 3,3-bis[4-(phosphonooxy)phenyl]benzofuran-2(3H)-one, tetrasodium salt
cas: 94442-19-0
dtxsid: DTXSID10915515
formula: C20H16O10P2
inchikey: VCHDGCDXPODQFY-UHFFFAOYSA-N
norman_susdat_id: NS00065785
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].[Na+].O=C1OC=2C=CC=CC2C1(C3=CC=C(OP(=O)(O)O)C=C3)C4=CC=C(OP(=O)(O)O)C=C4
inchi:
InChI=1/C20H16O10P2.4Na/c21-19-20(17-3-1-2-4-18(17)28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;/q;4*+1


cas: 944477-76-3
dtxsid: DTXSID30882679
norman_susdat_id: NS00109952
name:
1,9-Decadiene, 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-, polymer with 1,1-difluoroethene, 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene, 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: Lithium stearate
cas: 944-49-3
formula: C18H36O2.Li
inchikey: HGPXWXLYXNVULB-UHFFFAOYSA-M
norman_susdat_id: NS00082380
smiles: [Li+].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1


cas: 944578-05-6
dtxsid: DTXSID00882929
norman_susdat_id: NS00108918
name:
Sulfonamides, C4-8-alkane, perfluoro, N-[4,7-dimethyl-4-[[(1-methylpropylidene)amino]oxy]-3,5-dioxa-6-aza-4-silanon-6-en-1-yl]-N-ethyl


name: 2-Naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole
cas: 94464-02-5
formula: C20H14N2O2
inchikey: HFTNZWSUCMVIGY-VAWYXSNFSA-N
norman_susdat_id: NS00096915
smiles: C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4N3)/C=C/[N+](=O)[O-]
inchi:
InChI=1S/C20H14N2O2/c23-22(24)12-11-18-17-7-3-4-8-19(17)21-20(18)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,21H/b12-11+


cas: 944730-39-6
inchikey: KSBHTBNGQIGOPU-UHFFFAOYSA-J
norman_susdat_id: NS00078498
name:
Tetrasodium {3,3',3'',3'''-[(29H,31H-phthalocyanine-1,8,15,22-tetrayl-k4N29,N30,N31,N32)tetrasulfonyl]tetrapropane-1-sulfonato(6-)}cuprate(4-)

smiles:
C1=CC(S(=O)(=O)CCCS(=O)(=O)[O-])=C2C(=C1)C3=NC4=C5C(S(=O)(=O)CCCS(=O)(=O)[O-])=CC=CC5=C(N4%11)N=C6C7=C(S(=O)(=O)CCCS(=O)(=O)[O-])C=CC=C7C(=N6)N=C8C9=C(S(=O)(=O)CCCS(=O)(=O)[O-])C=CC=C9C(=N8)N=C2N3-[Cu]%11.[Na+].[Na+].[Na+].[Na+]


name: N,N'-hexane-1,6-diylbis(4-hydroxybutyramide)
cas: 94474-32-5
dtxsid: DTXSID00915504
formula: C14H28N2O4
inchikey: FCHCCQQVUZBSIR-UHFFFAOYSA-N
norman_susdat_id: NS00066626
pubchem_cid: 14548420
smiles: O=C(NCCCCCCNC(=O)CCCO)CCCO
inchi:
InChI=1/C14H28N2O4/c17-11-5-7-13(19)15-9-3-1-2-4-10-16-14(20)8-6-12-18/h17-18H,1-12H2,(H,15,19)(H,16,20)


name: a,e-diamino-2,4-dinitrobenzenehexanoic acid monohydrochloride
cas: 94481-40-0
dtxsid: DTXSID80915502
formula: C12H18N4O6
inchikey: VWUJKKUYDZOKRG-UHFFFAOYSA-N
norman_susdat_id: NS00065862
pubchem_cid: 44146388
smiles: Cl.O=C(O)C(N)CCCC(N)C1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C12H16N4O6.ClH/c13-9(2-1-3-10(14)12(17)18)8-5-4-7(15(19)20)6-11(8)16(21)22;/h4-6,9-10H,1-3,13-14H2,(H,17,18);1H


name: Methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate
cas: 94481-71-7
formula: C24H37FO5
inchikey: HWMRWBDFNNCFJE-UHFFFAOYSA-N
norman_susdat_id: NS00066669
pubchem_cid: 3024367
smiles: O=C(OC)CCCC=CCC1C(O)CC(O)C1C#CC(O)C(F)CC2CCCCC2
inchi:
InChI=1/C24H37FO5/c1-30-24(29)12-8-3-2-7-11-18-19(23(28)16-22(18)27)13-14-21(26)20(25)15-17-9-5-4-6-10-17/h2,7,17-23,26-28H,3-6,8-12,15-16H2,1H3


name: Tri-O-acetyl-5-O-trityl-D-ribofuranose
cas: 94482-37-8
dtxsid: DTXSID30915491
formula: C30H30O8
inchikey: VSTZPGHVUIYDQE-QSVYOFFDSA-N
norman_susdat_id: NS00066103
pubchem_cid: 44144823
smiles: O=C(OC1OC(COC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C30H30O8/c1-20(31)35-27-26(38-29(37-22(3)33)28(27)36-21(2)32)19-34-30(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26-29H,19H2,1-3H3


name: Decernotinib
cas: 944842-54-0
dtxsid: DTXSID70241504
formula: C18H19F3N6O
inchikey: ASUGUQWIHMTFJL-QGZVFWFLSA-N
norman_susdat_id: NS00073132
pubchem_cid: 59422203
smiles: CC[C@@](C)(Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F
inchi:
InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1


name: Sodium 3-(methyl{3-[(tridecafluorohexyl)amino]propyl}amino)propane-1-sulfonate
cas: 94492-37-2
dtxsid: DTXSID40896641
formula: C13H16F13N2NaO3S
inchikey: UKHHAWKJZOAOFX-UHFFFAOYSA-M
norman_susdat_id: NS00110472
smiles: [Na+].CN(CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCS([O-])(=O)=O
inchi:
InChI=1S/C13H17F13N2O3S.Na/c1-28(6-3-7-32(29,30)31)5-2-4-27-13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24;/h27H,2-7H2,1H3,(H,29,30,31);/q;+1/p-1


name: Tamibarotene
cas: 94497-51-5
chebiid: CHEBI:32181
dtxsid: DTXSID5046853
formula: C22H25NO3
inchikey: MUTNCGKQJGXKEM-UHFFFAOYSA-N
norman_susdat_id: NS00068306
pubchem_cid: 108143
smiles: CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21
inchi:
InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)


name: Tramadol met 12 -425
cas: 94530-87-7
chemspiderid: NA
formula: C21H31N1O8
inchikey: FDZPQJYMSANEJL-UHFFFAOYSA-N
norman_susdat_id: NS00000931
pubchem_cid: NA
smiles: C1(C(CN(C)C)CCCC1)(OC3OC(C(O)=O)C(O)C(O)C3O)c2cc(O)ccc2
inchi:
InChI=1S/C21H31NO8/c1-22(2)11-13-6-3-4-9-21(13,12-7-5-8-14(23)10-12)30-20-17(26)15(24)16(25)18(29-20)19(27)28/h5,7-8,10,13,15-18,20,23-26H,3-4,6,9,11H2,1-2H3,(H,27,28)


name: SMT c1100
cas: 945531-77-1
dtxsid: DTXSID30241525
formula: C19H15NO3S
inchikey: KSGCNXAZROJSNW-UHFFFAOYSA-N
norman_susdat_id: NS00072941
pubchem_cid: 25109292
smiles: CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
inchi:
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3


name: Paldimycin B
cas: 94555-01-8
chemspiderid: 16736845
formula: C43H62N4O23S3
inchikey: VBFMBQWGGZGDKY-RNMOKUSESA-N
norman_susdat_id: NS00011800
pubchem_cid: 20055433
inchi:
InChI=1S/C43H62N4O23S3/c1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h15-18,22-23,25-27,30-33,35,52,62-63H,10-14,44H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16?,17-,18-,22-,23-,25+,26-,27-,30?,31+,32+,33-,35+,42+,43-/m0/s1

smiles:
C[C@H]1[C@@]([C@H](C[C@@H](O1)O[C@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C(C(C)SC[C@@H](C(=O)O)NC(=O)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)COC(=O)C)[C@]3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)OC)([C@H](C)OC(=O)C(C)C)O


name: (7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-amin
cas: 945553-94-6
chemspiderid: 30915580
dtxsid: DTXSID10893728
formula: C20H12Cl1F1N4O4S1
inchikey: IBXBOQKFZSMVOL-UHFFFAOYSA-N
norman_susdat_id: NS00005522
pubchem_cid: 24742986
smiles: [O-][N+](=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1S(=O)(=O)c1ccccc1
inchi:
InChI=1S/C20H12ClFN4O4S/c21-15-8-12(6-7-16(15)22)25-20-14-9-18(26(27)28)19(10-17(14)23-11-24-20)31(29,30)13-4-2-1-3-5-13/h1-11H,(H,23,24,25)


name: Cinosulfuron
cas: 94593-91-6
chebiid: CHEBI:81982
chemspiderid: 83438
dtxsid: DTXSID5058220
formula: C15H19N5O7S1
inchikey: WMLPCIHUFDKWJU-UHFFFAOYSA-N
norman_susdat_id: NS00008335
pubchem_cid: 92420
smiles: COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1
inchi:
InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)


cas: 94598-43-3
dtxsid: DTXSID00915408
formula: C23H33N2O2
inchikey: ZKBZWOOQCUBWLR-MGHRICFHSA-N
norman_susdat_id: NS00065696
pubchem_cid: NA
smiles: [Br-].O=C(OC1CC2CCC(C1)[N+]2(C)C)NC3(C=4C=CC=CC4)CC5CCC3C5
name:
Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide

inchi:
InChI=1/C23H32N2O2.BrH/c1-25(2)19-10-11-20(25)14-21(13-19)27-22(26)24-23(17-6-4-3-5-7-17)15-16-8-9-18(23)12-16;/h3-7,16,18-21H,8-15H2,1-2H3;1H


name: HSD-016
cas: 946396-92-5
dtxsid: DTXSID20241559
formula: C21H21F7N2O3S
inchikey: ZWASRJHIEFYJGL-BFUOFWGJSA-N
norman_susdat_id: NS00073402
smiles: C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1
inchi:
InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1


name: 2-[5-(4-Hydroxyphenyl)-3,6-dioxopiperazin-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
cas: 94659-47-9
chemspiderid: 27445349
dtxsid: DTXSID40675615
formula: C16H19N3O5S1
inchikey: IIZCCQJEPBWGJU-UHFFFAOYSA-N
norman_susdat_id: NS00005680
pubchem_cid: 46780379
smiles: CC1(C)SC(NC1C(O)=O)C1NC(=O)C(NC1=O)c1ccc(O)cc1
inchi:
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)


name: 2-(octadec-9-enyloxy)ethanol
cas: 94677-31-3
formula: C20H40O2
inchikey: KWVPFECTOKLOBL-UHFFFAOYSA-N
norman_susdat_id: NS00092851
smiles: OCCOCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3


name: Piromelatine
cas: 946846-83-9
dtxsid: DTXSID90241566
formula: C17H16N2O4
inchikey: PNTNBIHOAPJYDB-UHFFFAOYSA-N
norman_susdat_id: NS00073412
pubchem_cid: 24815904
smiles: COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1
inchi:
InChI=1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)


name: 5-(sec-butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, monosodium salt
cas: 947-08-0
formula: C10H16N2O2S.Na
inchikey: SLZHLQUFNFXTHB-UHFFFAOYSA-N
norman_susdat_id: NS00079786
smiles: [Na+].CCC(C)C1(CC)C(=O)NC(=S)NC1=O
inchi:
InChI=1/C10H16N2O2S.Na/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1


name: 4-{2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-hydroxy-N-(nonafluorobutyl)benzamide
cas: 94705-65-4
dtxsid: DTXSID70896290
formula: C31H37F9N2O4
inchikey: JECHGDJHMJCUKE-UHFFFAOYSA-N
norman_susdat_id: NS00111473
smiles: CCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc1ccc(C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1
inchi:
InChI=1/C31H37F9N2O4/c1-8-22(46-23-14-11-17(26(4,5)9-2)15-20(23)27(6,7)10-3)25(45)41-18-12-13-19(21(43)16-18)24(44)42-31(39,40)29(34,35)28(32,33)30(36,37)38/h11-16,22,43H,8-10H2,1-7H3,(H,41,45)(H,42,44)


name: (5alpha)-6,7-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-8-one
cas: 94713-16-3
chemspiderid: 21167524
dtxsid: DTXSID00241577
formula: C18H19N1O3
inchikey: DLQCMOZWGPWEFE-FRYJOBKFSA-N
norman_susdat_id: NS00040413
pubchem_cid: 71301325
smiles: COc1c2OC3C=CC(=O)[C@H]4[C@H]5Cc(cc1)c2[C@@]34CCN5C
inchi:
InChI=1S/C18H19NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11,14,16H,7-9H2,1-2H3/t11-,14+,16-,18-/m1/s1


name: 3,4,7,8,9,10-hexahydro-5,7,7,8,10,10-hexamethyl-1H-naphtho[1,2-c]pyran
cas: 94713-17-4
dtxsid: DTXSID50915357
formula: C19H28O
inchikey: DNHDTRSUILNHHX-UHFFFAOYSA-N
norman_susdat_id: NS00066188
pubchem_cid: 44149734
smiles: O1CC=2C(=C(C=C3C2C(C)(C)CC(C)C3(C)C)C)CC1
inchi:
InChI=1/C19H28O/c1-12-9-16-17(15-11-20-8-7-14(12)15)18(3,4)10-13(2)19(16,5)6/h9,13H,7-8,10-11H2,1-6H3


name: N-(4-amino-2-hydroxyphenyl)-N'-(p-cyanophenyl)urea mono(toluene-p-sulphonate)
cas: 94713-20-9
dtxsid: DTXSID70915354
formula: C14H12N4O2
inchikey: MBVNVMITIVWIOW-UHFFFAOYSA-N
norman_susdat_id: NS00066601
pubchem_cid: 44149311
smiles: N#CC1=CC=C(C=C1)NC(=O)NC2=CC=C(N)C=C2O.O=S(=O)(O)C1=CC=C(C=C1)C
inchi:
InChI=1/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)


name: Toluene-o-sulphonic acid, compound with N-(p-amino-o-hydroxyphenyl)-N'-(p-cyanophenyl)urea (1:1)
cas: 94713-21-0
formula: C14H12N4O2.C7H8O3S
inchikey: KAYDZBLORDYWNX-UHFFFAOYSA-N
norman_susdat_id: NS00093338
smiles: Cc1ccccc1S(=O)(=O)O.Nc2ccc(NC(=O)Nc3ccc(cc3)C#N)c(O)c2
inchi:
InChI=1/C14H12N4O2.C7H8O3S/c15-8-9-1-4-11(5-2-9)17-14(20)18-12-6-3-10(16)7-13(12)19;1-6-4-2-3-5-7(6)11(8,9)10/h1-7,19H,16H2,(H2,17,18,20);2-5H,1H3,(H,8,9,10)


name: (4S-(2alpha,4alpha,5beta))-2-Ethyl-2-methyl-1,3-dioxolane-4,5-bis(ylmethyl) dimethanesulphonate
cas: 94713-22-1
chemspiderid: 57523649
dtxsid: DTXSID60241578
formula: C10H20O8S2
inchikey: LKVNXDNTLJEZSO-IUCAKERBSA-N
norman_susdat_id: NS00040414
pubchem_cid: 71301326
smiles: CCC1(C)O[C@@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)O1
inchi:
InChI=1S/C10H20O8S2/c1-5-10(2)17-8(6-15-19(3,11)12)9(18-10)7-16-20(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1


name: Ethylbis[2-(2-hydroxyethoxy)ethyl]oleylammonium ethyl sulphate
cas: 94713-24-3
formula: C28H58NO4
inchikey: BATWJDRIQJVYRO-AFEZEDKISA-M
norman_susdat_id: NS00065727
pubchem_cid: 20837992
smiles: O=S(=O)([O-])OCC.OCCOCC[N+](CC)(CCOCCO)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H58NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(4-2,21-25-32-27-23-30)22-26-33-28-24-31;1-2-6-7(3,4)5/h11-12,30-31H,3-10,13-28H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Bis[2-(2-hydroxyethoxy)ethyl]methyloleylammonium methyl sulphate
cas: 94713-26-5
formula: C27H55NO4
inchikey: VTVIIZUWNXHPSK-KVVVOXFISA-N
norman_susdat_id: NS00065698
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.OCCOCCC(CCOCCO)[NH2+]CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H55NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(18-23-31-25-21-29)19-24-32-26-22-30;1-5-6(2,3)4/h9-10,27-30H,2-8,11-26H2,1H3;1H3,(H,2,3,4)


name: 1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine monohydrochloride
cas: 94713-27-6
formula: C18H20N2O.ClH
inchikey: YBPORNTXIWVUOL-UHFFFAOYSA-N
norman_susdat_id: NS00093120
smiles: Cl.CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24
inchi:
InChI=1/C18H20N2O.ClH/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18;/h3-8,11,16H,9-10,12H2,1-2H3;1H


cas: 94713-29-8
formula: C36H26N7O18S5
inchikey: IKNXORXTGQVNPP-NLXKMSIJSA-I
norman_susdat_id: NS00065728
pubchem_cid: 135854044
name:
Pentasodium 4-hydroxy-7-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H25N7O18S5.5Na/c44-36-29-13-8-24(38-40-25-5-3-20(31(17-25)63(50,51)52)1-2-21-4-10-27(43(45)46)19-32(21)64(53,54)55)15-22(29)16-34(66(59,60)61)35(36)42-41-30-14-9-26(18-33(30)65(56,57)58)39-37-23-6-11-28(12-7-23)62(47,48)49;;;;;/h1-19,44H,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC=3C=CC=4C(C3)=CC(=C(N=NC5=CC=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C=C5S(=O)(=O)[O-])C4O)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: (Z)-4-[3-bromo-1-(4-chlorophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl
cas: 94732-94-2
formula: C21H15BrCl2
inchikey: UHMITVQUNZOQJG-BKUYFWCQSA-N
norman_susdat_id: NS00065729
pubchem_cid: 20836339
smiles: ClC=1C=CC(=CC1)C2=CC=C(C=C2)C(=CCBr)C3=CC=C(Cl)C=C3
inchi:
InChI=1/C21H15BrCl2/c22-14-13-21(18-7-11-20(24)12-8-18)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2


name: (E)-4-[3-bromo-1-(4-nitrophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl
cas: 94732-95-3
formula: C21H16BrClNO2
inchikey: GQBFSMFIHUYXCM-FYJGNVAPSA-N
norman_susdat_id: NS00066190
pubchem_cid: 6366556
smiles: O=[N+]([O-])C1=CC=C(C=C1)C(=CCBr)C2=CC=C(C=C2)C=3C=CC(Cl)=CC3
inchi:
InChI=1/C21H15BrClNO2/c22-14-13-21(18-7-11-20(12-8-18)24(25)26)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2


cas: 94732-99-7
formula: C22H16N6O18S4
inchikey: CKLNXXLIRDZLQS-UHFFFAOYSA-L
norman_susdat_id: NS00065730
pubchem_cid: NA
name:
Disodium dihydrogen 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H14N6O18S4.2Na.2H2/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;;;/h1-8,29-30H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])C3O)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: Fmoc-alpha-methylalanine
cas: 94744-50-0
chemspiderid: 2036863
dtxsid: DTXSID90373235
formula: C19H19N1O4
inchikey: HOZZVEPRYYCBTO-UHFFFAOYSA-N
norman_susdat_id: NS00006553
pubchem_cid: 2756096
smiles: CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
inchi:
InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)


name: Salmeterol xinafoate
cas: 94749-08-3
chebiid: CHEBI:9012
dtxsid: DTXSID1045798
formula: C36H45NO7
inchikey: XTZNCVSCVHTPAI-UHFFFAOYSA-N
norman_susdat_id: NS00076193
smiles: OC(=O)C1=CC=C2C=CC=CC2=C1O.OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
inchi:
InChI=1/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)


name: 10-undecenyl 2-cyano-3,3-diphenylpropenoate
cas: 947701-81-7
chemspiderid: 29303900
formula: C27H31N1O2
inchikey: ZMIFHAGGIBCROR-UHFFFAOYSA-N
norman_susdat_id: NS00007373
pubchem_cid: 57614757
smiles: C=CCCCCCCCCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C27H31NO2/c1-2-3-4-5-6-7-8-9-16-21-30-27(29)25(22-28)26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h2,10-15,17-20H,1,3-9,16,21H2


name: 2-Ethylhexyl-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
cas: 947753-66-4
chemspiderid: 32700979
formula: C25H29N1O3
inchikey: WAJCJDLRJVDSSD-UHFFFAOYSA-N
norman_susdat_id: NS00009268
pubchem_cid: 66661267
smiles: CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccc(OC)cc1
inchi:
InChI=1S/C25H29NO3/c1-4-6-10-19(5-2)18-29-25(27)23(17-26)24(20-11-8-7-9-12-20)21-13-15-22(28-3)16-14-21/h7-9,11-16,19H,4-6,10,18H2,1-3H3


name: Perfluoro(3,3'-(piperazine-1,4-diyl)dipropanoic acid)
cas: 948014-40-2
chemspiderid: 23955851
dtxsid: DTXSID40663113
formula: C10H2F16N2O4
inchikey: ATEOLKSFBUQJLT-UHFFFAOYSA-N
norman_susdat_id: NS00019362
pubchem_cid: 45075731
smiles: OC(=O)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(O)=O)C(F)(F)C1(F)F
inchi:
InChI=1S/C10H2F16N2O4/c11-3(12,1(29)30)5(15,16)27-7(19,20)9(23,24)28(10(25,26)8(27,21)22)6(17,18)4(13,14)2(31)32/h(H,29,30)(H,31,32)


name: 1-[(Butan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-ol
cas: 94817-79-5
dtxsid: DTXSID50895948
formula: C15H14F19NO
inchikey: PBRMQLWBNAZWRE-UHFFFAOYSA-N
norman_susdat_id: NS00110747
smiles: CCC(C)NCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C15H14F19NO/c1-3-5(2)35-4-6(36)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h5-6,35-36H,3-4H2,1-2H3


cas: 94825-14-6
formula: C25H20N8O11S2.2Na
inchikey: XRQCGMVNHIOKCU-UHFFFAOYSA-L
norman_susdat_id: NS00092852
name:
Disodium hydrogen 3-[[2,4-diamino-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-sulphonatosalicylate

inchi:
InChI=1/C25H20N8O11S2.2Na.H2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44;;;/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].Oc4c(cc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O)C([O-])=O


name: (2-hydroxyethyl)ammonium 2-(dodecyloxy)ethyl sulphate
cas: 94825-15-7
formula: C14H30O5S.C2H7NO
inchikey: JIEGFJDQHRUKGH-UHFFFAOYSA-N
norman_susdat_id: NS00093123
smiles: CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[NH3+]CCO
inchi:
InChI=1/C14H30O5S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;3-1-2-4/h2-14H2,1H3,(H,15,16,17);4H,1-3H2


cas: 94825-61-3
formula: C21H18O3
norman_susdat_id: NS00101657
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(carboxymethyl)-.omega.-[[2(or 3)-(phenylmethyl)[1,1'-biphenyl]-4-yl]oxy]-, sodium salt


name: N-(3-{[8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}phenyl)acetamide
cas: 948575-39-1
formula: C20H16N8O
inchikey: QVKXQLGRDOMAGC-UHFFFAOYSA-N
norman_susdat_id: NS00071463
pubchem_cid: 23656870
smiles: CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1
inchi:
InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)


name: C-6 NBD ceramide
cas: 94885-02-6
chebiid: CHEBI:59429
chemspiderid: 17347098
formula: C30H49N5O6
inchikey: HZIRBXILQRLFIK-VPZZKNKNSA-N
norman_susdat_id: NS00016772
pubchem_cid: 16219783
smiles: CCCCCCCCCCCCC/C=C/[C@H]([C@@H](N=C(CCCCCNc1ccc(c2c1non2)N(=O)=O)O)CO)O
inchi:
InChI=1S/C30H49N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27(37)25(23-36)32-28(38)19-16-14-17-22-31-24-20-21-26(35(39)40)30-29(24)33-41-34-30/h15,18,20-21,25,27,31,36-37H,2-14,16-17,19,22-23H2,1H3,(H,32,38)/b18-15+/t25-,27+/m0/s1


name: D-[(amino)carbonyl]phenylalanine
cas: 949-45-1
dtxsid: DTXSID60388199
formula: C10H12N2O3
inchikey: IPWQOZCSQLTKOI-QMMMGPOBSA-N
norman_susdat_id: NS00069118
pubchem_cid: 446054
smiles: N=C(O)N[C@@H](Cc1ccccc1)C(=O)O
inchi:
InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1


cas: 949091-38-7
chemspiderid: 23976924
dtxsid: DTXSID10652413
formula: C24H32N6O3
inchikey: BEAXWKCHSPVXQB-UHFFFAOYSA-N
norman_susdat_id: NS00015015
pubchem_cid: 29949815
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(=O)CN1CCN(CC1)C)C
name:
5-{2-Ethoxy-5-[(4-methylpiperazin-1-yl)acetyl]phenyl}-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

inchi:
InChI=1S/C24H32N6O3/c1-5-7-18-21-22(29(4)27-18)24(32)26-23(25-21)17-14-16(8-9-20(17)33-6-2)19(31)15-30-12-10-28(3)11-13-30/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,25,26,32)


cas: 94944-74-8
dtxsid: DTXSID90915210
formula: C34H46N4O5S
inchikey: ADSVMOOPQPIGEI-UHFFFAOYSA-N
norman_susdat_id: NS00066165
pubchem_cid: 3024409
smiles: N#CCCC1C(=O)N(N=C1C=2C=CC(=CC2)NC(=O)CCCCCCCCCCCCCCC)C3=CC=CC(=C3)S(=O)(=O)O
name:
m-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C34H46N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32(39)36-28-23-21-27(22-24-28)33-31(19-16-25-35)34(40)38(37-33)29-17-15-18-30(26-29)44(41,42)43/h15,17-18,21-24,26,31H,2-14,16,19-20H2,1H3,(H,36,39)(H,41,42,43)


cas: 94944-75-9
dtxsid: DTXSID80915209
formula: C36H50N4O5S
inchikey: JLUMGSZBJQCCCD-UHFFFAOYSA-N
norman_susdat_id: NS00066587
pubchem_cid: 3024410
smiles: N#CCCC1C(=O)N(N=C1C=2C=CC(=CC2)NC(=O)CCCCCCCCCCCCCCCCC)C3=CC=CC(=C3)S(=O)(=O)O
name:
m-[4-(2-cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C36H50N4O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-34(41)38-30-25-23-29(24-26-30)35-33(21-18-27-37)36(42)40(39-35)31-19-17-20-32(28-31)46(43,44)45/h17,19-20,23-26,28,33H,2-16,18,21-22H2,1H3,(H,38,41)(H,43,44,45)


cas: 94944-77-1
formula: C41H79N3O
inchikey: ZDIREPVNOQHVMY-YIQDKWKASA-N
norman_susdat_id: NS00066588
pubchem_cid: NA
smiles: O=C(NCCN1CC[NH+](C)C1CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
name:
(Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate

inchi:
InChI=1/C41H79N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(45)42-36-37-44-39-38-43(3)41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,41H,4-17,22-39H2,1-3H3,(H,42,45);1H3,(H,2,3,4)


name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl methanesulphonate
cas: 94944-78-2
dtxsid: DTXSID20915208
formula: C18H16N2O3S
inchikey: DYCGGXLDHJHKRD-UHFFFAOYSA-N
norman_susdat_id: NS00065668
pubchem_cid: 25076643
smiles: O=S(=O)(OC1=CC=C2NC3=C(C2=C1)C(=C4C=NC=CC4=C3C)C)C
inchi:
InChI=1/C18H16N2O3S/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(23-24(3,21)22)4-5-16(14)20-18/h4-9,20H,1-3H3


name: N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dimaleate
cas: 94944-79-3
formula: C25H32N4O.2C4H4O4
inchikey: WGWHHUGEYVPMGY-SPIKMXEPSA-N
norman_susdat_id: NS00092854
smiles: CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C25H32N4O.2C4H4O4/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30-5)9-10-21(20)28-24(22)16(3)19(23)11-13-27-25;2*5-3(6)1-2-4(7)8/h9-11,13,15,28H,6-8,12,14H2,1-5H3,(H,26,27);2*1-2H,(H,5,6)(H,7,8)


name: 3,3'-[[4-(tert-butyl)phenyl]methylene]bis(1H-indole)
cas: 94944-80-6
dtxsid: DTXSID60915207
formula: C27H26N2
inchikey: NCPVEZRBHNDCIV-UHFFFAOYSA-N
norman_susdat_id: NS00066589
pubchem_cid: 11245918
smiles: C=1C=CC2=C(C1)NC=C2C(C3=CC=C(C=C3)C(C)(C)C)C4=CNC=5C=CC=CC54
inchi:
InChI=1/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3


cas: 94944-81-7
formula: C40H31N5O13S3
inchikey: WXXMSMOSMANOCN-UHFFFAOYSA-K
norman_susdat_id: NS00065702
pubchem_cid: NA
name:
Trisodium 4-hydroxy-3-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C40H31N5O13S3.3Na/c1-57-32-18-22(11-15-29(32)42-44-31-21-35(60(51,52)53)28-9-6-10-34(59(48,49)50)37(28)40(31)47)23-12-16-30(33(19-23)58-2)43-45-38-36(61(54,55)56)20-24-17-26(13-14-27(24)39(38)46)41-25-7-4-3-5-8-25;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC2=C(C=C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(=CC6=CC5S(=O)(=O)[O-])NC=7C=CC=CC7)C(OC)=C4)C(O)=C21)S(=O)(=O)[O-]


name: 1-[(sulphooxy)methyl]-1,2-ethanediyl dioleate
cas: 94944-82-8
dtxsid: DTXSID00915206
formula: C39H72O8S
inchikey: CDHCSPQAZJUSRB-CLFAGFIQSA-N
norman_susdat_id: NS00065703
pubchem_cid: 102057141
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COS(=O)(=O)O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C39H72O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H,42,43,44)


cas: 94944-83-9
formula: C40H36N10O17S4.Na
inchikey: BGQLUASPGGDDJQ-UHFFFAOYSA-M
norman_susdat_id: NS00092836
name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, monosodium salt

inchi:
InChI=1/C40H36N10O17S4.Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);/q;+1/p-1

smiles:
[Na+].OS(=O)(=O)c7cc(N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc6cc(C)c(N=Nc5cc(cc4cc(cc(O)c45)S([O-])(=O)=O)S(O)(=O)=O)cc6OC)S(O)(=O)=O)c(OC)cc7


name: Disodium 7,7'-iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]
cas: 94944-84-0
formula: C36H29N7O10S2
inchikey: RMPJYFDIJFDFEQ-UHFFFAOYSA-L
norman_susdat_id: NS00066590
pubchem_cid: NA
inchi:
InChI=1/C36H29N7O10S2.2Na/c1-19(44)37-23-3-7-25(8-4-23)40-42-33-31(54(48,49)50)17-21-15-27(11-13-29(21)35(33)46)39-28-12-14-30-22(16-28)18-32(55(51,52)53)34(36(30)47)43-41-26-9-5-24(6-10-26)38-20(2)45;;/h3-18,39,46-47H,1-2H3,(H,37,44)(H,38,45)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6)NC(=O)C)C5O)S(=O)(=O)[O-])C=C1)C


name: 2-{[(1-carboxy-5-{[(4-iodophenyl)carbamoyl]amino}pentyl)carbamoyl]amino}pentanedioic acid
cas: 949575-22-8
formula: C19H25IN4O8
inchikey: LFEGKCKGGNXWDV-KBPBESRZSA-N
norman_susdat_id: NS00072527
pubchem_cid: 24957011
smiles: O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccc(I)cc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1


name: Iofolastat
cas: 949575-24-0
dtxsid: DTXSID40241697
formula: C19H26IN3O7
inchikey: OXUUJYOSVPMNKP-GJZGRUSLSA-N
norman_susdat_id: NS00072528
pubchem_cid: 24951655
smiles: O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccc(I)cc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1


name: Org 25935
cas: 949588-40-3
formula: C21H25NO3
inchikey: UEBBYLJZCHTLEG-UTKZUKDTSA-N
norman_susdat_id: NS00072097
smiles: COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)O)[C@@H]2c1ccccc1
inchi:
InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1


name: 2,3-bis(sulphooxy)propyl oleate
cas: 94970-42-0
formula: C21H40O10S2
inchikey: NPRMOGCTZRQUFS-KTKRTIGZSA-N
norman_susdat_id: NS00066166
pubchem_cid: 6433044
smiles: O=C(OCC(OS(=O)(=O)O)COS(=O)(=O)O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H40O10S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)29-18-20(31-33(26,27)28)19-30-32(23,24)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24,25)(H,26,27,28)


cas: 94992-57-1
formula: C17H23NO.C8H8O3
inchikey: RIPYWWDTVSFQJZ-UNTBIKODSA-N
norman_susdat_id: NS00093334
smiles: COc1ccc(C[C@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O
name:
(S)-glycolic acid, compound with (R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)

inchi:
InChI=1/C17H23NO.C2H4O3/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;3-1-2(4)5/h6-9,17-18H,2-5,10-12H2,1H3;3H,1H2,(H,4,5)


name: 2,2'-ethylenedioxydiethyl bis(2-ethylbutyrate)
cas: 95-08-9
dtxsid: DTXSID80861696
formula: C18H34O6
inchikey: JEYLQCXBYFQJRO-UHFFFAOYSA-N
norman_susdat_id: NS00041070
pubchem_cid: 7217
smiles: O=C(OCCOCCOCCOC(=O)C(CC)CC)C(CC)CC
inchi:
InChI=1/C18H34O6/c1-5-15(6-2)17(19)23-13-11-21-9-10-22-12-14-24-18(20)16(7-3)8-4/h15-16H,5-14H2,1-4H3


name: 2-Heptadecyl-3-hydroxyethylimidazoline
cas: 95-19-2
chemspiderid: 6953
dtxsid: DTXSID9025378
formula: C22H44N2O1
inchikey: QJEBJKXTNSYBGE-UHFFFAOYSA-N
norman_susdat_id: NS00014130
pubchem_cid: 7223
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCO
inchi:
InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3


name: Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-
cas: 95-22-7
chemspiderid: 60130
dtxsid: DTXSID0059118
formula: C21H15N3S2
inchikey: YLEIZZYNXHCGKG-UHFFFAOYSA-N
norman_susdat_id: NS00040440
pubchem_cid: 66764
smiles: Cc1cc2c(cc1)nc(s2)c1ccc2nc(sc2c1)c1ccc(N)cc1
inchi:
InChI=1S/C21H15N3S2/c1-12-2-8-16-18(10-12)25-21(24-16)14-5-9-17-19(11-14)26-20(23-17)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3


name: Diamthazole
cas: 95-27-2
chebiid: CHEBI:103934
chemspiderid: 8384
dtxsid: DTXSID1046182
formula: C15H23N3O1S1
inchikey: WGMYEOIMVYADRJ-UHFFFAOYSA-N
norman_susdat_id: NS00040442
pubchem_cid: 8708
smiles: CCN(CC)CCOc1cc2c(cc1)nc(s2)N(C)C.[H+].[H+]
inchi:
InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3


name: 1,3-bis(benzothiazol-2-ylthiomethyl)urea
cas: 95-35-2
formula: C17H14N4OS4
inchikey: WYHIYIVTCWNVCW-UHFFFAOYSA-N
norman_susdat_id: NS00041033
pubchem_cid: 66766
smiles: O=C(NCSC1=NC=2C=CC=CC2S1)NCSC3=NC=4C=CC=CC4S3
inchi:
InChI=1/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)


name: 2-(2-heptadec-8-enyl-2-imidazolin-1-yl)ethanol
cas: 95-38-5
chemspiderid: 4513347
formula: C22H42N2O1
inchikey: WGTDLPBPQKAPMN-KTKRTIGZSA-N
norman_susdat_id: NS00004753
pubchem_cid: 5358159
smiles: CCCCCCCCC=C/CCCCCCCC1=NCCN1CCO
inchi:
InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3/b10-9-


name: 10-heneicosene (c,t)
cas: 95008-11-0
dtxsid: DTXSID80880867
formula: C21H42
inchikey: QOJGJKKHTRAFOK-XUTLUUPISA-N
norman_susdat_id: NS00096001
smiles: CCCCCCCCCCC=CCCCCCCCCC
inchi:
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h19,21H,3-18,20H2,1-2H3/b21-19+


name: 9,10-Dihydro-1,5-dihydroxy-9,10-dioxo-4,8-bis((sulphomethyl)amino)anthracene-2,6-disulphonic acid
cas: 95008-84-7
chemspiderid: 72907
dtxsid: DTXSID70241726
formula: C16H14N2O16S4
inchikey: OJLSSPVEXKDPHS-UHFFFAOYSA-N
norman_susdat_id: NS00040431
pubchem_cid: 80747
smiles: Oc1c2C(=O)c3c(NCS(=O)(=O)O)cc(c(O)c3C(=O)c2c(NCS(=O)(=O)O)cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C16H14N2O16S4/c19-13-7(37(29,30)31)1-5(17-3-35(23,24)25)9-11(13)16(22)10-6(18-4-36(26,27)28)2-8(38(32,33)34)14(20)12(10)15(9)21/h1-2,17-20H,3-4H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)


cas: 95008-86-9
formula: C48H63N5O10S2
inchikey: TWCAOYSAJNQHEG-UHFFFAOYSA-M
norman_susdat_id: NS00066591
pubchem_cid: 57356888
name:
Sodium 5-[[5-(benzoylamino)-2-[[2-[(4-ethoxy-3-sulphophenyl)hydrazono]-1-methylnonadecylidene]hydrazino]phenyl]sulphonyl]salicylate

inchi:
InChI=1/C48H63N5O10S2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41(52-51-38-27-31-44(63-5-2)46(33-38)65(60,61)62)35(3)50-53-42-29-26-37(49-47(55)36-23-20-19-21-24-36)32-45(42)64(58,59)39-28-30-43(54)40(34-39)48(56)57;/h19-21,23-24,26-34,51,53-54H,4-18,22,25H2,1-3H3,(H,49,55)(H,56,57)(H,60,61,62);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=CC(=CC=C1O)S(=O)(=O)C2=CC(=CC=C2NN=C(C(=NNC3=CC=C(OCC)C(=C3)S(=O)(=O)O)CCCCCCCCCCCCCCCCC)C)NC(=O)C=4C=CC=CC4


cas: 95008-89-2
formula: C45H38N8O17S2
inchikey: KAKPKCICQLSMSJ-UHFFFAOYSA-J
norman_susdat_id: NS00066592
pubchem_cid: NA
name:
Tetrasodium 3,3'-[carbonylbis[imino-m-phenylenecarbonylimino(5-methoxy-2-methyl-p-phenylene)azo]]bis[6-hydroxy-5-sulphonatobenzoate]

inchi:
InChI=1/C45H38N8O17S2.4Na/c1-21-11-33(52-50-27-15-29(43(58)59)39(54)37(17-27)71(63,64)65)35(69-3)19-31(21)48-41(56)23-7-5-9-25(13-23)46-45(62)47-26-10-6-8-24(14-26)42(57)49-32-20-36(70-4)34(12-22(32)2)53-51-28-16-30(44(60)61)40(55)38(18-28)72(66,67)68;;;;/h5-20,54-55H,1-4H3,(H,48,56)(H,49,57)(H,58,59)(H,60,61)(H2,46,47,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=C(C(=CC2OC)NC(=O)C=3C=CC=C(C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(OC)=C(N=NC=6C=C(C(=O)[O-])C(O)=C(C6)S(=O)(=O)[O-])C=C5C)C)=CC(=C1O)S(=O)(=O)[O-]


name: Benzyl cyclopentanevalerate
cas: 95008-93-8
chemspiderid: 2290344
dtxsid: DTXSID90241728
formula: C17H24O2
inchikey: ONKIFINYCDJCBF-UHFFFAOYSA-N
norman_susdat_id: NS00040432
pubchem_cid: 21149864
smiles: O=C(CCCCC1CCCC1)OCc1ccccc1
inchi:
InChI=1S/C17H24O2/c18-17(19-14-16-11-2-1-3-12-16)13-7-6-10-15-8-4-5-9-15/h1-3,11-12,15H,4-10,13-14H2


name: Azelaic acid, compound with (Z)-2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazole-1-ethanol
cas: 95009-00-0
formula: C22H42N2O.xC9H16O4
inchikey: ROVKKEPIAHWYLT-KVVVOXFISA-N
norman_susdat_id: NS00092837
smiles: CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C22H42N2O.C9H16O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;10-8(11)6-4-2-1-3-5-7-9(12)13/h9-10,25H,2-8,11-21H2,1H3;1-7H2,(H,10,11)(H,12,13)


name: (Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with (Z)-9-octadecen-1-amine (1:1)
cas: 95046-20-1
formula: C21H39NO3.C18H37N
inchikey: IYHKPWZZQIXPGH-XEXRUUOTSA-N
norman_susdat_id: NS00092801
smiles: CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O
inchi:
InChI=1/C21H39NO3.C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);9-10H,2-8,11-19H2,1H3


name: Ethyl docosa-4,8,12,15,19-pentaenoate
cas: 95046-21-2
formula: C24H38O2
inchikey: BKTFPFLATXHRMR-UHFFFAOYSA-N
norman_susdat_id: NS00065674
pubchem_cid: 3024423
smiles: O=C(OCC)CCC=CCCC=CCCC=CCC=CCCC=CCC
inchi:
InChI=1/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,9-10,12-13,16-17,20-21H,3-4,7-8,11,14-15,18-19,22-23H2,1-2H3


name: N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycine monohydrochloride
cas: 95046-22-3
formula: C24H48N2O4.ClH
inchikey: XFXRRNWYIJBFDQ-UHFFFAOYSA-N
norman_susdat_id: NS00092802
smiles: Cl.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O
inchi:
InChI=1/C24H48N2O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);1H


name: N,N'-[1,4-dioxane-2,5-diylbis(methylene)]bis[N-(carboxymethyl)glycine]
cas: 95046-23-4
dtxsid: DTXSID40915144
formula: C14H22N2O10
inchikey: VIZXPVJRZYHHDC-UHFFFAOYSA-N
norman_susdat_id: NS00066581
pubchem_cid: 44149847
smiles: O=C(O)CN(CC(=O)O)CC1OCC(OC1)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1/C14H22N2O10/c17-11(18)3-15(4-12(19)20)1-9-7-26-10(8-25-9)2-16(5-13(21)22)6-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: 3-[[4-[(4-aminophenyl)methyl]phenyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 95046-24-5
dtxsid: DTXSID80915143
formula: C37H60N2O3
inchikey: SFZOKWXBDAXUEE-UHFFFAOYSA-N
norman_susdat_id: NS00066582
pubchem_cid: 16206139
smiles: O=C(OCC(O)CNC1=CC=C(C=C1)CC2=CC=C(N)C=C2)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C37H60N2O3/c1-4-6-8-10-12-14-16-26-37(3,27-17-15-13-11-9-7-5-2)36(41)42-30-35(40)29-39-34-24-20-32(21-25-34)28-31-18-22-33(38)23-19-31/h18-25,35,39-40H,4-17,26-30,38H2,1-3H3


cas: 95046-25-6
formula: C23H23N3O7S2
inchikey: MTCWCQWVPAJEJF-UHFFFAOYSA-N
norman_susdat_id: NS00066134
pubchem_cid: NA
smiles: [Na+].O=C1C(=CC=C2OC=3C=CC=CC3N2CCCOS(=O)(=O)O)N(C(=S)N1C=4C=CC=CC4)CCO
name:
1-(2-hydroxyethyl)-3-phenyl-2-thioxo-5-[[3-[3-(sulphooxy)propyl]-3H-benzoxazol-2-ylidene]ethylidene]imidazolidin-4-one, monosodium salt

inchi:
InChI=1/C23H23N3O7S2.Na/c27-15-14-25-19(22(28)26(23(25)34)17-7-2-1-3-8-17)11-12-21-24(13-6-16-32-35(29,30)31)18-9-4-5-10-20(18)33-21;/h1-5,7-12,27H,6,13-16H2,(H,29,30,31);/q;+1


name: 5-ethyl-5-(1-ethyl-2-methylpropyl)barbituric acid
cas: 95046-31-4
dtxsid: DTXSID00915140
formula: C12H20N2O3
inchikey: MXXWTDJMNCLMLK-UHFFFAOYSA-N
norman_susdat_id: NS00066583
pubchem_cid: 3024426
smiles: O=C1NC(=O)C(C(=O)N1)(CC)C(CC)C(C)C
inchi:
InChI=1/C12H20N2O3/c1-5-8(7(3)4)12(6-2)9(15)13-11(17)14-10(12)16/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17)


name: Gemcitabine
cas: 95058-81-4
chebiid: CHEBI:175901
chemspiderid: 54753
dtxsid: DTXSID3040487
formula: C9H11F2N3O4
inchikey: SDUQYLNIPVEERB-QPPQHZFASA-N
norman_susdat_id: NS00000342
pubchem_cid: 60750
smiles: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F
inchi:
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1


name: Indaziflam
cas: 950782-86-2
chebiid: CHEBI:133240
chemspiderid: 21442049
dtxsid: DTXSID0058223
formula: C16H20F1N5
inchikey: YFONKFDEZLYQDH-UHFFFAOYSA-N
norman_susdat_id: NS00003397
pubchem_cid: 58590448
smiles: CC(F)c1nc(N)nc(NC2C(C)Cc3ccc(C)cc23)n1
inchi:
InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)


name: (R)-Carvedilol
cas: 95093-99-5
dtxsid: DTXSID90241748
formula: C24H26N2O4
inchikey: OGHNVEJMJSYVRP-QGZVFWFLSA-N
norman_susdat_id: NS00076451
smiles: COC1=CC=CC=C1OCCNC[C@@H](O)COC1=CC=CC2=C1C1=CC=CC=C1N2
inchi:
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m1/s1


name: Cytidine, 2'-deoxy-
cas: 951-77-9
chemspiderid: 13117
dtxsid: DTXSID70883620
formula: C9H13N3O4
inchikey: CKTSBUTUHBMZGZ-UHFFFAOYSA-N
norman_susdat_id: NS00014659
pubchem_cid: 637
smiles: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
inchi:
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)


name: Uridine, 2'-deoxy-
cas: 951-78-0
chebiid: CHEBI:16450
chemspiderid: 13118
dtxsid: DTXSID30883621
formula: C9H12N2O5
inchikey: MXHRCPNRJAMMIM-SHYZEUOFSA-N
norman_susdat_id: NS00014663
pubchem_cid: 13712
smiles: O=C/1NC(=O)N(C=C1)C2OC(C(O)C2)CO
inchi:
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1


name: 4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridylmethyl dihydrogen phosphate monohydrochloride
cas: 951-83-7
formula: C8H13N2O5P.ClH
inchikey: ICDDSMNGKMVVCW-UHFFFAOYSA-N
norman_susdat_id: NS00080076
smiles: Cl.Oc1c(CN)c(cnc1C)COP(O)(=O)O
inchi:
InChI=1/C8H13N2O5P.ClH/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14;/h3,11H,2,4,9H2,1H3,(H2,12,13,14);1H


name: 2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid
cas: 951009-69-1
chemspiderid: 28184902
formula: C18H11N3O4
inchikey: COKFURSZLRZHAC-UHFFFAOYSA-N
norman_susdat_id: NS00014266
pubchem_cid: NA
smiles: OC(=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
inchi:
InChI=1S/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)


name: Ulimorelin
cas: 951326-02-6
dtxsid: DTXSID00233139
formula: C30H39FN4O4
inchikey: WGYPAJVJMXQXTR-ABNZCKJZSA-N
norman_susdat_id: NS00072571
pubchem_cid: 11526696
smiles: C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1
inchi:
InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1


cas: 95144-11-9
formula: C26H51NO4
norman_susdat_id: NS00101840
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(octadecylimino)di-2,1-ethanediyl]bis[.omega.-(acetyloxy)-


name: 1-(4-(trans-4-Propylcyclohexyl)-phenyl)-butan-1-one
cas: 95149-34-1
chemspiderid: NA
formula: C19H28O1
inchikey: ITFMHXVKWITXOR-WKILWMFISA-N
norman_susdat_id: NS00002636
pubchem_cid: NA
smiles: CCC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)CCC
inchi:
InChI=1S/C19H28O/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)6-4-2/h11-16H,3-10H2,1-2H3/t15-,16-


name: 1-(4-(trans-4-Propylcyclohexyl)-phenyl)-pentan-1-on
cas: 95149-35-2
chemspiderid: NA
formula: C20H30O1
inchikey: JSLOWJIMCIZBEY-QAQDUYKDSA-N
norman_susdat_id: NS00001134
pubchem_cid: 381122961
smiles: CCCCC(=O)c1ccc(cc1)[C@H]1CC[C@H](CCC)CC1
inchi:
InChI=1S/C20H30O/c1-3-5-7-20(21)19-14-12-18(13-15-19)17-10-8-16(6-4-2)9-11-17/h12-17H,3-11H2,1-2H3/t16-,17-


name: Perindoprilat
cas: 95153-31-4
chebiid: CHEBI:132041
chemspiderid: 65017
dtxsid: DTXSID90869249
formula: C17H28N2O5
inchikey: ODAIHABQVKJNIY-PEDHHIEDSA-N
norman_susdat_id: NS00007784
pubchem_cid: 72022
smiles: CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O
inchi:
InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1


name: Butanedioic acid, 2-(2-benzothiazolylthio)-
cas: 95154-01-1
chemspiderid: 4576330
dtxsid: DTXSID20888625
formula: C11H9N1O4S2
inchikey: KRDSXENYLDIORL-UHFFFAOYSA-N
norman_susdat_id: NS00005626
pubchem_cid: 5463760
smiles: OC(=O)CC(Sc1nc2ccccc2s1)C(O)=O
inchi:
InChI=1S/C11H9NO4S2/c13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h1-4,8H,5H2,(H,13,14)(H,15,16)


name: 2,2-Diazido-2,2-dihydro-4,6-bis(pentadecafluoroheptyl)1,3,5,2-triazaphosphorine
cas: 95215-99-9
dtxsid: DTXSID20897095
formula: C16F30N9P
inchikey: OXYTULQNNXZBJK-UHFFFAOYSA-N
norman_susdat_id: NS00109806
inchi:
InChI=1S/C16F30N9P/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-49-2(51-56(50-1,54-52-47)55-53-48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=NP(N=[N+]=[N-])(N=[N+]=[N-])=NC(=N1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Atovaquone
cas: 95233-18-4
chebiid: CHEBI:95346
chemspiderid: 67544
dtxsid: DTXSID7022629
formula: C22H19Cl1O3
inchikey: BSJMWHQBCZFXBR-UHFFFAOYSA-N
norman_susdat_id: NS00010018
pubchem_cid: 74989
smiles: OC1=C(C2CCC(CC2)c2ccc(Cl)cc2)C(=O)C(=O)c2ccccc12
inchi:
InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2


name: Toreforant
cas: 952494-46-1
formula: C23H32N6
inchikey: FCRFVPZAXGJLPW-UHFFFAOYSA-N
norman_susdat_id: NS00072525
pubchem_cid: 23650961
smiles: Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1
inchi:
InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)


name: 5-(3,4-dihydroxybenzyl)-5-methylhydantoin
cas: 953-74-2
dtxsid: DTXSID50915034
formula: C11H12N2O4
inchikey: DKUBQWNEJMFLFD-UHFFFAOYSA-N
norman_susdat_id: NS00042009
pubchem_cid: 102531
smiles: O=C1NC(=O)C(N1)(C)CC2=CC=C(O)C(O)=C2
inchi:
InChI=1/C11H12N2O4/c1-11(9(16)12-10(17)13-11)5-6-2-3-7(14)8(15)4-6/h2-4,14-15H,5H2,1H3,(H2,12,13,16,17)


name: (2Z)-2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
cas: 953030-84-7
chebiid: CHEBI:39381
chemspiderid: 45678
dtxsid: DTXSID401009368
formula: C16H23N3O1S1
inchikey: PRLVTUNWOQKEAI-VKAVYKQESA-N
norman_susdat_id: NS00000100
pubchem_cid: NA
smiles: CC(C)N1/C(=N/C(C)(C)C)/SCN(C1=O)C2=CC=CC=C2
inchi:
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-


name: Tris{4-[(4-acetylphenyl)sulfanyl]phenyl}sulfonium hexafluorophosphate
cas: 953084-13-4
inchikey: YXSHMKGGFIQDGA-UHFFFAOYSA-N
norman_susdat_id: NS00078499
smiles:
F[P-](F)(F)(F)(F)F.CC(=O)c1ccc(Sc2ccc(cc2)[S+](c2ccc(Sc3ccc(cc3)C(C)=O)cc2)c2ccc(Sc3ccc(cc3)C(C)=O)cc2)cc1


cas: 95325-75-0
dtxsid: DTXSID00883032
norman_susdat_id: NS00108926
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with chlorotrifluoroethene, 1,1-difluoroethene and tetrafluoroethene


cas: 953428-73-4
formula: C19H18F2N6O3
inchikey: IURMHZBQEYNQOH-UHFFFAOYSA-N
norman_susdat_id: NS00073371
pubchem_cid: 16755766
smiles: CN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1
name:
3-{3-[(2,2-difluoro-2h-1,3-benzodioxol-5-yl)amino]-5-(pyridin-4-yl)-1h-1,2,4-triazol-1-yl}-n,n-dimethylpropanamide

inchi:
InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)


cas: 95370-51-7
dtxsid: DTXSID20883074
norman_susdat_id: NS00109643
name:
Carbamic acid, [2-(sulfothio)ethyl]-, C-(.gamma.-.omega.-perfluoro-C6-9-alkyl) esters, monosodium salts


name: Aceclofenac
cas: 954-67-6
chebiid: CHEBI:31159
chemspiderid: 64809
dtxsid: DTXSID7045522
formula: C16H13Cl2N1O4
inchikey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N
norman_susdat_id: NS00000078
pubchem_cid: 71771
smiles: Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O
inchi:
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)


name: Danirixin | Gsk-1325756
cas: 954126-98-8
formula: C19H21ClFN3O4S
inchikey: NGYNBSHYFOFVLS-LBPRGKRZSA-N
norman_susdat_id: NS00073080
pubchem_cid: 24780598
smiles: Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
inchi:
InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1


name: Meriolin 3
cas: 954143-48-7
formula: C12H11N5O
inchikey: GGEWEQJWGGJUHO-UHFFFAOYSA-N
norman_susdat_id: NS00071514
pubchem_cid: 23727981
smiles: COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
inchi:
InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)


name: JTK-853
cas: 954389-09-4
dtxsid: DTXSID60241836
formula: C28H23F7N6O4S2
inchikey: JQLOVYLALGSISI-HXUWFJFHSA-N
norman_susdat_id: NS00073157
pubchem_cid: 57519700
smiles: O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
inchi:
InChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1


cas: 954397-95-6
chemspiderid: 23331150
dtxsid: DTXSID6047731
formula: C34H32N4O4
inchikey: HMGSYODAZJHCRL-UHFFFAOYSA-N
norman_susdat_id: NS00015688
pubchem_cid: 16755781
smiles: CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)C)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C(=C5)C(=O)O
name:
3-(4-{[1-(3-Ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylic acid

inchi:
InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41)


name: Lycopsamine-N-oxide
cas: 95462-15-0
chemspiderid: 301478
formula: C15H25NO6
inchikey: DNAWGBOKUFFVMB-FVZLBROTSA-N
norman_susdat_id: NS00098508
pubchem_cid: 340067
smiles: C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O
inchi:
InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-,16?/m0/s1


cas: 955359-72-5
formula: C39H49ClN4O2
inchikey: YANGEESWIGIKOP-UUWRZZSWSA-N
norman_susdat_id: NS00072523
pubchem_cid: 17747460
smiles: O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1
name:
2-{[1-(4-{4-[3-(azepan-1-yl)propoxy]phenyl}butyl)pyrrolidin-2-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,2-dihydrophthalazin-1-one

inchi:
InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1


name: MK 1775
cas: 955365-80-7
chebiid: CHEBI:91414
dtxsid: DTXSID30241868
formula: C27H32N8O2
inchikey: BKWJAKQVGHWELA-UHFFFAOYSA-N
norman_susdat_id: NS00072864
pubchem_cid: 24856436
smiles: C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
inchi:
InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)


cas: 95590-48-0
dtxsid: DTXSID60882743
norman_susdat_id: NS00110975
name:
2-Propenoic acid, 2-methyl-, 3-(trimethoxysilyl)propyl ester, polymer with ethenylbenzene, 2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl 2-propenoate and 2-hydroxyethyl 2-propenoate


name: 6-Benzamidohexanoic acid
cas: 956-09-2
chemspiderid: 63568
dtxsid: DTXSID00241890
formula: C13H17N1O3
inchikey: LFCIOBCYMAQQBT-UHFFFAOYSA-N
norman_susdat_id: NS00040454
pubchem_cid: 70388
smiles: OC(=O)CCCCCNC(=O)c1ccccc1
inchi:
InChI=1S/C13H17NO3/c15-12(16)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,17)(H,15,16)


name: 1-tert-Butyl-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
cas: 956025-83-5
dtxsid: DTXSID20647754
formula: C17H21N5
inchikey: FYCOTGCSHZKHPR-UHFFFAOYSA-N
norman_susdat_id: NS00071659
pubchem_cid: 24865390
smiles: Cc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1
inchi:
InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)


name: Flobetair
cas: 956103-76-7
dtxsid: DTXSID90239781
formula: C20H25FN2O3
inchikey: YNDIAUKFXKEXSV-NSCUHMNNSA-N
norman_susdat_id: NS00072578
smiles: CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1
inchi:
InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+


name: ARN-509
cas: 956104-40-8
dtxsid: DTXSID40241899
formula: C21H15F4N5O2S
inchikey: HJBWBFZLDZWPHF-UHFFFAOYSA-N
norman_susdat_id: NS00072522
pubchem_cid: 24872560
smiles: CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F
inchi:
InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)


name: Fenoxaprop
cas: 95617-09-7
chemspiderid: 77708
dtxsid: DTXSID5058224
formula: C16H12Cl1N1O5
inchikey: MPPOHAUSNPTFAJ-UHFFFAOYSA-N
norman_susdat_id: NS00003214
pubchem_cid: 86134
smiles: CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(O)=O
eea_notation: CAS_95617-09-7
inchi:
InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)


name: Mavatrep
cas: 956274-94-5
dtxsid: DTXSID90241905
formula: C25H21F3N2O
inchikey: ORDHXXHTBUZRCN-NTEUORMPSA-N
norman_susdat_id: NS00072524
smiles: CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1
inchi:
InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+


name: Ranolazine
cas: 95635-55-5
chebiid: CHEBI:87690
chemspiderid: 51354
dtxsid: DTXSID3045196
formula: C24H33N3O4
inchikey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N
norman_susdat_id: NS00002495
pubchem_cid: 56959
smiles: COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
inchi:
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)


name: Amisulpride-met 12 -339
cas: 956480-13-0
chemspiderid: NA
formula: C10H13N1O8S2
inchikey: VXYBVCGIVXWTJD-UHFFFAOYSA-N
norman_susdat_id: NS00000721
pubchem_cid: NA
smiles: S(=O)(c1c(NS(=O)(O)=O)cc(OC)c(C(O)=O)c1)(CC)=O
inchi:
InChI=1S/C10H13NO8S2/c1-3-20(14,15)9-4-6(10(12)13)8(19-2)5-7(9)11-21(16,17)18/h4-5,11H,3H2,1-2H3,(H,12,13)(H,16,17,18)


name: Tris(2-methylpropyl) 3-(2,2,3,3,4,4,4-heptafluorobutanamido)propane-1,1,3-tricarboxylate
cas: 95654-14-1
dtxsid: DTXSID50896238
formula: C22H32F7NO7
inchikey: FWAHHXBYEZUSRR-UHFFFAOYSA-N
norman_susdat_id: NS00110774
smiles: CC(C)COC(=O)C(CC(C(=O)OCC(C)C)C(=O)OCC(C)C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C22H32F7NO7/c1-11(2)8-35-16(31)14(17(32)36-9-12(3)4)7-15(18(33)37-10-13(5)6)30-19(34)20(23,24)21(25,26)22(27,28)29/h11-15H,7-10H2,1-6H3,(H,30,34)


name: 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methylbutan-2-yl)amino]ethan-1-ol (Mapenterol)
cas: 95656-68-1
chemspiderid: 155620
dtxsid: DTXSID10914886
formula: C14H20Cl1F3N2O1
inchikey: KGOIKOVSEVRHNH-UHFFFAOYSA-N
norman_susdat_id: NS00000164
pubchem_cid: 178787
smiles: CCC(C)(C)NCC(O)C1=CC(=C(N)C(Cl)=C1)C(F)(F)F
inchi:
InChI=1S/C14H20ClF3N2O/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8/h5-6,11,20-21H,4,7,19H2,1-3H3


name: 7,8-Dihydroxy calonectrin
cas: 95673-99-7
chebiid: CHEBI:169114
dtxsid: DTXSID10241922
formula: C19H26O8
inchikey: JSKXQQKSUOVSKS-UHFFFAOYSA-N
norman_susdat_id: NS00094900
pubchem_cid: 557474
smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
inchi:
InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3


cas: 956790-67-3
dtxsid: DTXSID30896291
formula: C92H26F100N4S4
inchikey: LUUOUNOJFJEOFT-SCNOFKTBSA-N
norman_susdat_id: NS00110096
name:
5,10,15,20-Tetrakis{2,3,5,6-tetrafluoro-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)sulfanyl]phenyl}porphyrin

inchi:
InChI=1S/C92H26F100N4S4/c93-33-29(34(94)42(102)49(41(33)101)197-13-9-53(109,110)57(117,118)61(125,126)65(133,134)69(141,142)73(149,150)77(157,158)81(165,166)85(173,174)89(181,182)183)25-17-1-2-18(193-17)26(30-35(95)43(103)50(44(104)36(30)96)198-14-10-54(111,112)58(119,120)62(127,128)66(135,136)70(143,144)74(151,152)78(159,160)82(167,168)86(175,176)90(184,185)186)20-5-6-22(195-20)28(32-39(99)47(107)52(48(108)40(32)100)200-16-12-56(115,116)60(123,124)64(131,132)68(139,140)72(147,148)76(155,156)80(163,164)84(171,172)88(179,180)92(190,191)192)24-8-7-23(196-24)27(21-4-3-19(25)194-21)31-37(97)45(105)51(46(106)38(31)98)199-15-11-55(113,114)59(121,122)63(129,130)67(137,138)71(145,146)75(153,154)79(161,162)83(169,170)87(177,178)91(187,188)189/h1-8,193,196H,9-16H2/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+

smiles:
Fc1c(F)c(c(F)c(F)c1SCCC(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)-c1c2Nc(cc2)c(c2C=Cc(n2)c(c2Nc(cc2)c(c2C=Cc1n2)-c1c(F)c(F)c(SCCC(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)c(F)c1F)-c1c(F)c(F)c(SCCC(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)c(F)c1F)-c1c(F)c(F)c(SCCC(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)c(F)c1F


name: Piperidinium perfluorononanoate
cas: 95682-66-9
dtxsid: DTXSID20896982
formula: C14H12F17NO2
inchikey: SAAKVDDBERRVJG-UHFFFAOYSA-N
norman_susdat_id: NS00109801
smiles: C1CC[NH2+]CC1.[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)F
inchi:
InChI=1S/C9HF17O2.C5H11N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;1-2-4-6-5-3-1/h(H,27,28);6H,1-5H2


name: Heptadecafluorononanoic acid--aniline (1/1)
cas: 95682-67-0
dtxsid: DTXSID80895613
formula: C15H8F17NO2
inchikey: KJRYUNFHXUGFPQ-UHFFFAOYSA-N
norman_susdat_id: NS00111752
smiles: Nc1ccccc1.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)(F)F
inchi:
InChI=1S/C9HF17O2.C6H7N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;7-6-4-2-1-3-5-6/h(H,27,28);1-5H,7H2


name: 7-Aminocephalosporanic acid
cas: 957-68-6
chebiid: CHEBI:58501
chemspiderid: 390087
dtxsid: DTXSID9045342
formula: C10H12N2O5S1
inchikey: HSHGZXNAXBPPDL-HZGVNTEJSA-N
norman_susdat_id: NS00001376
pubchem_cid: 7058093
smiles: CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O
inchi:
InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1


name: 5-bromouridine
cas: 957-75-5
chebiid: CHEBI:20553
formula: C9H11BrN2O6
inchikey: AGFIRQJZCNVMCW-UAKXSSHOSA-N
norman_susdat_id: NS00042449
pubchem_cid: 91494
smiles: O=C1NC(=O)N(C=C1Br)C2OC(CO)C(O)C2O
inchi:
InChI=1/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)


name: 5-hydroxyuridine
cas: 957-77-7
chebiid: CHEBI:149645
dtxsid: DTXSID60914856
formula: C9H12N2O7
inchikey: QXDXBKZJFLRLCM-UAKXSSHOSA-N
norman_susdat_id: NS00042468
pubchem_cid: 94196
smiles: O=C1NC(=O)N(C=C1O)C2OC(CO)C(O)C2O
inchi:
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)


name: Pictrelisib
cas: 957054-30-7
chebiid: CHEBI:65326
dtxsid: DTXSID40241930
formula: C23H27N7O3S2
inchikey: LHNIIDJUOCFXAP-UHFFFAOYSA-N
norman_susdat_id: NS00071518
pubchem_cid: 17755052
smiles: CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
inchi:
InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)


name: N-(4-Amino-5-chloro-2-hydroxyphenyl)-3,4-dichlorobenzamide
cas: 95709-82-3
chemspiderid: 11620077
dtxsid: DTXSID50573476
formula: C13H9Cl3N2O2
inchikey: YEMGDMMNWKZAAS-UHFFFAOYSA-N
norman_susdat_id: NS00002133
pubchem_cid: 15508679
smiles: Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl
inchi:
InChI=1S/C13H9Cl3N2O2/c14-7-2-1-6(3-8(7)15)13(20)18-11-4-9(16)10(17)5-12(11)19/h1-5,19H,17H2,(H,18,20)


name: Benzamide, 3,4-dichloro-N-(5-chloro-2-hydroxy-4-nitrophenyl)-
cas: 95709-83-4
chemspiderid: 11620076
dtxsid: DTXSID60477517
formula: C13H7Cl3N2O4
inchikey: NUFLFFYSKACCKN-UHFFFAOYSA-N
norman_susdat_id: NS00007071
pubchem_cid: 12097765
smiles: Oc1cc(c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1)[N+]([O-])=O
inchi:
InChI=1S/C13H7Cl3N2O4/c14-7-2-1-6(3-8(7)15)13(20)17-10-4-9(16)11(18(21)22)5-12(10)19/h1-5,19H,(H,17,20)


name: MK 3207
cas: 957118-49-9
dtxsid: DTXSID00241931
formula: C31H29F2N5O3
inchikey: AZAANWYREOQRFB-SETSBSEESA-N
norman_susdat_id: NS00072557
pubchem_cid: 25019940
smiles: O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
inchi:
InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1


name: {4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)oxy]phenyl}methanol
cas: 957206-65-4
dtxsid: DTXSID50696538
formula: C16H13F13O2
inchikey: PLXJZTAXKGDVFR-UHFFFAOYSA-N
norman_susdat_id: NS00110574
smiles: OCC1=CC=C(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C16H13F13O2/c17-11(18,6-1-7-31-10-4-2-9(8-30)3-5-10)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-5,30H,1,6-8H2


name: 2-Methoxyperfluoro(2,5-di(propan-2-yl)oxolane)
cas: 957209-18-6
dtxsid: DTXSID80889254
formula: C11H3F19O2
inchikey: YRGYOFYTTFLPQM-UHFFFAOYSA-N
norman_susdat_id: NS00111695
smiles: COC1(OC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C11H3F19O2/c1-31-7(3(13,10(25,26)27)11(28,29)30)5(16,17)4(14,15)6(18,32-7)2(12,8(19,20)21)9(22,23)24/h1H3


name: Pyriproxyfen
cas: 95737-68-1
chebiid: CHEBI:39260
chemspiderid: 82851
dtxsid: DTXSID1032640
formula: C20H19N1O3
inchikey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
norman_susdat_id: NS00009439
pubchem_cid: 91753
smiles: CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1
inchi:
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3


name: Benzyl (5-{[4-({5-[acetyl(hydroxy)amino]pentyl}amino)-4-oxobutanoyl](hydroxy)amino}pentyl)carbamate
cas: 95748-46-2
chemspiderid: 23353966
formula: C24H38N4O7
inchikey: YXOUACQAUXKIEI-UHFFFAOYSA-N
norman_susdat_id: NS00001833
pubchem_cid: 92038157
smiles: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)OCc1ccccc1
inchi:
InChI=1S/C24H38N4O7/c1-20(29)27(33)17-9-3-7-15-25-22(30)13-14-23(31)28(34)18-10-4-8-16-26-24(32)35-19-21-11-5-2-6-12-21/h2,5-6,11-12,33-34H,3-4,7-10,13-19H2,1H3,(H,25,30)(H,26,32)


name: 4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane)
cas: 95756-62-0
chemspiderid: 486055
dtxsid: DTXSID20339844
formula: C17H32O1
inchikey: WFNGXXFOYRNZIV-UHFFFAOYSA-N
norman_susdat_id: NS00040459
pubchem_cid: 559130
smiles: CCCC1CCC(CC1)C1CCC(CC1)OCC
inchi:
InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17+


name: Cefotiam hexetil
cas: 95761-91-4
chebiid: CHEBI:59211
chemspiderid: 111920
formula: C27H37N9O7S3
inchikey: VVFDMWZLBPUKTD-ZKRNHDOASA-N
norman_susdat_id: NS00011591
pubchem_cid: 125846
smiles: CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)Cc3csc(n3)N)CSc4nnnn4CCN(C)C)OC(=O)OC5CCCCC5
inchi:
InChI=1S/C27H37N9O7S3/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37)/t15?,20-,23-/m1/s1


name: Adenosine, 2'-deoxy-
cas: 958-09-8
chebiid: CHEBI:17256
chemspiderid: 616
dtxsid: DTXSID10883624
formula: C10H13N5O3
inchikey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N
norman_susdat_id: NS00014680
pubchem_cid: 13730
smiles: n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N
inchi:
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1


name: Thenyldiamine hydrochloride
cas: 958-93-0
formula: C14H19N3S.ClH
inchikey: OQWLDKFPOJCKBX-UHFFFAOYSA-N
norman_susdat_id: NS00079599
smiles: Cl.CN(C)CCN(Cc1ccsc1)c2ccccn2
inchi:
InChI=1/C14H19N3S.ClH/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14;/h3-7,10,12H,8-9,11H2,1-2H3;1H


name: Beclabuvir
cas: 958002-33-0
formula: C36H45N5O5S
inchikey: ZTTKEBYSXUCBSE-QDFUAKMASA-N
norman_susdat_id: NS00073452
pubchem_cid: 56934415
inchi:
InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1

smiles:
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21


name: Cpi 613
cas: 95809-78-2
dtxsid: DTXSID70914807
formula: C22H28O2S2
inchikey: ZYRLHJIMTROTBO-OAQYLSRUSA-N
norman_susdat_id: NS00072584
smiles: O=C(O)CCCC[C@H](CCSCc1ccccc1)SCc1ccccc1
inchi:
InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)/t21-/m1/s1


name: 1,1,1,5,5,6,6,10,10,10-Decafluoro-3,3,8,8-tetrakis(trifluoromethyl)-2,4,7,9-tetraoxadecane
cas: 95841-80-8
dtxsid: DTXSID80896746
formula: C10F22O4
inchikey: HTIKFKFFFZPLCK-UHFFFAOYSA-N
norman_susdat_id: NS00111851
smiles: FC(F)(F)OC(OC(F)(F)C(F)(F)OC(OC(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22O4/c11-3(12,13)1(4(14,15)16,35-9(27,28)29)33-7(23,24)8(25,26)34-2(5(17,18)19,6(20,21)22)36-10(30,31)32


name: Ammonium 4,8-dioxa-3H-perfluorononanoate
cas: 958445-44-8
dtxsid: DTXSID00874026
formula: C7H5F12NO4
inchikey: PLWXPXSPYCHPTF-UHFFFAOYSA-N
norman_susdat_id: NS00108850
smiles: [NH4+].[O-]C(=O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
inchi:
InChI=1/C7H2F12O4.H3N/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19;/h1H,(H,20,21);1H3


name: 1-(2,2,3,6-Tetramethylcyclohexyl)hexan-3-ol
cas: 95851-08-4
chemspiderid: NA
dtxsid: DTXSID3052642
formula: C16H32O1
inchikey: ZXEXKFFXTYZXJT-UHFFFAOYNA-N
norman_susdat_id: NS00019694
pubchem_cid: NA
smiles: CCCC(O)CCC1C(C)CCC(C)C1(C)C
inchi:
InChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3/t12-,13+,14+,15+/m0/s1


cas: 95851-62-0
dtxsid: DTXSID50896213
formula: C13H14ClF13N2O2
inchikey: IIRSTMSLANXKGX-UHFFFAOYSA-N
norman_susdat_id: NS00110771
smiles: Cl.OCCN1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one--hydrogen chloride (1/1)

inchi:
InChI=1S/C13H13F13N2O2.ClH/c14-8(15,7(30)28-3-1-27(2-4-28)5-6-29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;/h29H,1-6H2;1H


name: Bis[[3-(acryloyloxy)-2,2-dimethylpropyl]dimethylammonium] sulphate
cas: 95873-48-6
formula: C10H19NO2.1/2H2O4S
inchikey: WJSTVUXBKGTLBZ-UHFFFAOYSA-N
norman_susdat_id: NS00093091
smiles: C[NH+](C)CC(C)(C)COC(=O)C=C.C[NH+](C)CC(C)(C)COC(=O)C=C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C10H19NO2.H2O4S/c2*1-6-9(12)13-8-10(2,3)7-11(4)5;1-5(2,3)4/h2*6H,1,7-8H2,2-5H3;(H2,1,2,3,4)


name: Sodium 1,2,10-tris(2-hydroxyethyl) 3-(3-hydroxynon-1-enyl)-1-sulphonatodecane-1,2,10-tricarboxylate
cas: 95873-49-7
formula: C28H50O13S
inchikey: RMBNVWDXRIVOJE-UHFFFAOYSA-M
norman_susdat_id: NS00065653
pubchem_cid: 53432497
smiles: [Na+].O=C(OCCO)CCCCCCCC(C=CC(O)CCCCCC)C(C(=O)OCCO)C(C(=O)OCCO)S(=O)(=O)[O-]
inchi:
InChI=1/C28H50O13S.Na/c1-2-3-4-9-12-23(32)15-14-22(11-8-6-5-7-10-13-24(33)39-19-16-29)25(27(34)40-20-17-30)26(42(36,37)38)28(35)41-21-18-31;/h14-15,22-23,25-26,29-32H,2-13,16-21H2,1H3,(H,36,37,38);/q;+1/p-1


name: Allylbis(2-hydroxyethyl)oleylammonium chloride
cas: 95873-53-3
formula: C25H50NO2
inchikey: DMMNIJFBWQIYHR-AFEZEDKISA-M
norman_susdat_id: NS00066106
pubchem_cid: 20837994
smiles: [Cl-].OCC[N+](CC=C)(CCO)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H50NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,11-12,27-28H,2-3,5-10,13-25H2,1H3;1H/q+1;/p-1


name: Allylbis(2-hydroxypropyl)oleylammonium chloride
cas: 95873-54-4
formula: C27H54NO2
inchikey: WSUXIQNBHBCBRI-HPWRNOGASA-M
norman_susdat_id: NS00066107
pubchem_cid: 20837996
smiles: [Cl-].OC(C)C[N+](CC=C)(CCCCCCCCC=CCCCCCCCC)CC(O)C
inchi:
InChI=1/C27H54NO2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(22-6-2,24-26(3)29)25-27(4)30;/h6,13-14,26-27,29-30H,2,5,7-12,15-25H2,1,3-4H3;1H/q+1;/p-1


name: Sodium 3-chloro-6-[(2,4-dihydroxyphenyl)azo]toluene-4-sulphonate
cas: 95873-56-6
formula: C13H11ClN2O5S
inchikey: AKUPURLVDLRSIW-UHFFFAOYSA-M
norman_susdat_id: NS00066578
pubchem_cid: 3024493
smiles: [Na+].O=S(=O)([O-])C=1C=C(N=NC2=CC=C(O)C=C2O)C(=CC1Cl)C
inchi:
InChI=1/C13H11ClN2O5S.Na/c1-7-4-9(14)13(22(19,20)21)6-11(7)16-15-10-3-2-8(17)5-12(10)18;/h2-6,17-18H,1H3,(H,19,20,21);/q;+1/p-1


cas: 95873-57-7
formula: C40H35N3O6S2
inchikey: BSYWGPDWFWXDCJ-FBASBXHASA-L
norman_susdat_id: NS00066108
pubchem_cid: NA
name:
Disodium 2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-methyl-4-sulphonatophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate

inchi:
InChI=1/C40H35N3O6S2.2Na/c1-26-5-4-6-35(23-26)41-32-13-7-29(8-14-32)40(30-9-15-33(16-10-30)42-36-19-21-38(27(2)24-36)50(44,45)46)31-11-17-34(18-12-31)43-37-20-22-39(28(3)25-37)51(47,48)49;;/h4-25,41-42H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=C(C(=C6)C)S(=O)(=O)[O-])C=C1C


cas: 95873-63-5
dtxsid: DTXSID90914768
formula: C19H19N5O3
inchikey: KUACECLRQMFTQS-UHFFFAOYSA-N
norman_susdat_id: NS00065654
pubchem_cid: 198678
smiles: Cl.O=C(NCC(=O)NC=1C(=O)N(C=2C=CC=CC2)N(C1C)C)C=3C=NC=CC3
name:
N-[2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]nicotinamide monohydrochloride

inchi:
InChI=1/C19H19N5O3.ClH/c1-13-17(19(27)24(23(13)2)15-8-4-3-5-9-15)22-16(25)12-21-18(26)14-7-6-10-20-11-14;/h3-11H,12H2,1-2H3,(H,21,26)(H,22,25);1H


name: Sodium [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
cas: 95873-69-1
formula: C12H10O6.Na
inchikey: CIVAPWNSKCJJEE-UHFFFAOYSA-M
norman_susdat_id: NS00092800
smiles: [Na+].CC1=CC(=O)Oc2cc(OCC(=O)[O-])c(O)cc12
inchi:
InChI=1/C12H10O6.Na/c1-6-2-12(16)18-9-4-10(17-5-11(14)15)8(13)3-7(6)9;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1


name: GSK-1059615
cas: 958852-01-2
dtxsid: DTXSID00242004
formula: C18H11N3O2S
inchikey: QDITZBLZQQZVEE-YBEGLDIGSA-N
norman_susdat_id: NS00072526
pubchem_cid: 23582824
smiles: O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1
inchi:
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-


name: 2-(4-aminosulphophenyl)-6-methylbenzothiazole-7-sulphonic acid
cas: 95892-16-3
dtxsid: DTXSID10914760
formula: C14H12N2O6S3
inchikey: HCHWBHDUXGYWHU-UHFFFAOYSA-N
norman_susdat_id: NS00066193
pubchem_cid: 3024500
smiles: O=S(=O)(O)C1=CC(N)=CC=C1C2=NC=3C=CC(=C(C3S2)S(=O)(=O)O)C
inchi:
InChI=1/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)9-4-3-8(15)6-11(9)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)


name: 4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride
cas: 959-24-0
chebiid: CHEBI:9207
formula: C12H20N2O3S.ClH
inchikey: VIDRYROWYFWGSY-UHFFFAOYSA-N
norman_susdat_id: NS00079848
smiles: Cl.CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1
inchi:
InChI=1/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H


name: Benzyldimethyloctylammonium chloride
cas: 959-55-7
dtxsid: DTXSID6041634
formula: C17H30N
inchikey: PXFDQFDPXWHEEP-UHFFFAOYSA-M
norman_susdat_id: NS00042051
pubchem_cid: 13740
smiles: [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCC
inchi:
InChI=1/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1


name: Endosulfan I
cas: 959-98-8
chemspiderid: 4938407
dtxsid: DTXSID9037539
formula: C9H6Cl6O3S1
inchikey: RDYMFSUJUZBWLH-GDSHQCHSSA-N
norman_susdat_id: NS00008052
pubchem_cid: 6433227
smiles: ClC1=C(Cl)[C@]2(Cl)[C@@H]3COS(=O)OC[C@@H]3C1(Cl)C2(Cl)Cl
eea_notation: CAS_959-98-8
inchi:
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1


name: Tris(2,4-di-tert-butylphenyl) phosphate
cas: 95906-11-9
dtxsid: DTXSID20893779
formula: C42H63O4P
inchikey: AZSKHRTUXHLAHS-UHFFFAOYSA-N
norman_susdat_id: NS00066890
inchi:
InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)44-47(43,45-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)46-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3

smiles:
CC(C)(C)C1=CC(=C(OP(=O)(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C=C1)C(C)(C)C


name: 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-n-(4-sulfamoylphenyl)-1-benzofuran-6-sulfonamide
cas: 959324-50-6
formula: C23H18Br2N2O7S2
inchikey: VSYGXLAJQDAWCZ-UHFFFAOYSA-N
norman_susdat_id: NS00071703
pubchem_cid: 448661
smiles: CCc1oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C23H18Br2N2O7S2/c1-2-19-21(22(28)12-9-17(24)23(29)18(25)10-12)16-8-7-15(11-20(16)34-19)36(32,33)27-13-3-5-14(6-4-13)35(26,30)31/h3-11,27,29H,2H2,1H3,(H2,26,30,31)


name: Barbituric acid derivative
cas: 959343-20-5
formula: C16H11F3N2O3S
inchikey: DNZPLHRZXUJATK-UHFFFAOYSA-N
norman_susdat_id: NS00070566
pubchem_cid: 3003157
smiles: O=C1NC(=S)NC(=O)C1Cc1ccc(-c2ccccc2C(F)(F)F)o1
inchi:
InChI=1S/C16H11F3N2O3S/c17-16(18,19)11-4-2-1-3-9(11)12-6-5-8(24-12)7-10-13(22)20-15(25)21-14(10)23/h1-6,10H,7H2,(H2,20,21,22,23,25)


cas: 959462-50-1
dtxsid: DTXSID70895506
formula: C18H10F26I2
inchikey: YTTJEDNFUNDSGW-UHFFFAOYSA-N
norman_susdat_id: NS00111411
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-Hexacosafluoro-8,11-diiodooctadecane

inchi:
InChI=1/C18H10F26I2/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)3-5(45)1-2-6(46)4-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h5-6H,1-4H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,15,15,16,16,17,17,18,18,19,19,20,20,20-Hexacosafluoro-8,13-diiodoicosane
cas: 959462-51-2
dtxsid: DTXSID80895517
formula: C20H14F26I2
inchikey: JFGKJLVJKBJQJJ-UHFFFAOYSA-N
norman_susdat_id: NS00111744
inchi:
InChI=1/C20H14F26I2/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-7(47)3-1-2-4-8(48)6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h7-8H,1-6H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 959462-52-3
dtxsid: DTXSID60895550
formula: C24H14F34I2
inchikey: HVBADBGMDBTYFU-UHFFFAOYSA-N
norman_susdat_id: NS00111054
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-Tetratriacontafluoro-10,15-diiodotetracosane

inchi:
InChI=1/C24H14F34I2/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)5-7(59)3-1-2-4-8(60)6-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h7-8H,1-6H2

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)CC(I)CCCCC(I)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


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-Hexacosafluorooctadecane
cas: 959462-53-4
dtxsid: DTXSID80895395
formula: C18H12F26
inchikey: MMCIGPKUQANRMI-UHFFFAOYSA-N
norman_susdat_id: NS00111732
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H12F26/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-3-1-2-4-6-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h1-6H2


cas: 959462-55-6
dtxsid: DTXSID30895481
formula: C22H12F34
inchikey: AYLKNFHWGYCSFD-UHFFFAOYSA-N
norman_susdat_id: NS00110035
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-Tetratriacontafluorodocosane

inchi:
InChI=1S/C22H12F34/c23-7(24,9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)53)5-3-1-2-4-6-8(25,26)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(54,55)56/h1-6H2

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)CCCCCCC(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: JNJ-39220675
cas: 959740-39-7
dtxsid: DTXSID90242053
formula: C21H24FN3O2
inchikey: IQOWHZHNGJXGHG-UHFFFAOYSA-N
norman_susdat_id: NS00072642
pubchem_cid: 24771368
smiles: O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1
inchi:
InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2


name: A-836339
cas: 959746-77-1
chemspiderid: 26286892
formula: C16H26N2O2S1
inchikey: JKGIMVBQKSRTGX-VKAVYKQESA-N
norman_susdat_id: NS00017350
pubchem_cid: NA
smiles: CC1=C(C)N(CCOC)/C(S1)=N/C(C2C(C)(C)C2(C)C)=O
inchi:
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3/b17-14-


name: Quizalofop
cas: 95977-28-9
chebiid: CHEBI:137509
chemspiderid: 155628
dtxsid: DTXSID60273935
formula: C17H13ClN2O4
inchikey: ABOOPXYCKNFDNJ-UHFFFAOYSA-N
norman_susdat_id: NS00098682
pubchem_cid: 178795
smiles: CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl
inchi:
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)


name: 6,6'-Di-tert-butyl-4,4'-methylenedi-o-cresol
cas: 96-65-1
chemspiderid: 60147
dtxsid: DTXSID10242070
formula: C23H32O2
inchikey: RKLRVTKRKFEVQG-UHFFFAOYSA-N
norman_susdat_id: NS00019374
pubchem_cid: 66782
smiles: CC1=CC(CC2=CC(=C(O)C(C)=C2)C(C)(C)C)=CC(=C1O)C(C)(C)C
inchi:
InChI=1S/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3


name: 4,4'-Thiobis[2-tert-butyl-6-methylphenol]
cas: 96-66-2
chemspiderid: 7033
dtxsid: DTXSID8059136
formula: C22H30O2S1
inchikey: YFHKLSPMRRWLKI-UHFFFAOYSA-N
norman_susdat_id: NS00040497
pubchem_cid: 7306
smiles: Cc1cc(Sc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3


name: 4,4'-Thiobis(6-tert-butyl-m-cresol)
cas: 96-69-5
chemspiderid: 7034
dtxsid: DTXSID4021341
formula: C22H30O2S1
inchikey: HXIQYSLFEXIOAV-UHFFFAOYSA-N
norman_susdat_id: NS00008858
pubchem_cid: 7308
smiles: Cc1cc(O)c(cc1Sc1cc(c(O)cc1C)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3


name: Lactobionic acid
cas: 96-82-2
chemspiderid: 7040
dtxsid: DTXSID3048861
formula: C12H22O12
inchikey: JYTUSYBCFIZPBE-UHFFFAOYSA-N
norman_susdat_id: NS00014344
pubchem_cid: 60793
smiles: OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O
inchi:
InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1


name: Diethyl benzamidomalonate
cas: 96-86-6
dtxsid: DTXSID80914696
formula: C14H17NO5
inchikey: NMSZTQWZINJIMY-UHFFFAOYSA-N
norman_susdat_id: NS00041198
pubchem_cid: 66790
smiles: O=C(OCC)C(NC(=O)C=1C=CC=CC1)C(=O)OCC
inchi:
InChI=1/C14H17NO5/c1-3-19-13(17)11(14(18)20-4-2)15-12(16)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,16)


name: Mepivacaine
cas: 96-88-8
chebiid: CHEBI:6759
chemspiderid: 3922
dtxsid: DTXSID9023259
formula: C15H22N2O1
inchikey: INWLQCZOYSRPNW-UHFFFAOYSA-N
norman_susdat_id: NS00000534
pubchem_cid: 4062
smiles: O=C(Nc1c(cccc1C)C)C2N(C)CCCC2
inchi:
InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)


name: Tedatioxetine
cas: 960151-65-9
formula: C18H21NS
inchikey: CVASBKDYSQKLSO-UHFFFAOYSA-N
norman_susdat_id: NS00072038
pubchem_cid: 9878913
smiles: Cc1ccc(Sc2ccccc2C2CCNCC2)cc1
inchi:
InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3


cas: 960495-42-5
chemspiderid: 29271903
formula: C16H24N6O6
inchikey: UUCQCTDPDBFLFF-DHXVBOOMSA-N
norman_susdat_id: NS00040471
pubchem_cid: NA
smiles: CC(C)[C@@H](C(=O)OC[C@@H](COC(=O)C)OCn1cnc2c1[nH]c(nc2=O)N)N.Cl
name:
(2R)-3-(acetyloxy)-2-[(2-amino-6-oxo-6,9-dihydro-3h-purin-9-yl)methoxy]propyl (2s)-2-amino-3-methylbutanoate, hydrochloride

inchi:
InChI=1S/C16H24N6O6/c1-8(2)11(17)15(25)27-5-10(4-26-9(3)23)28-7-22-6-19-12-13(22)20-16(18)21-14(12)24/h6,8,10-11H,4-5,7,17H2,1-3H3,(H3,18,20,21,24)/t10-,11+/m1/s1


name: 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid
cas: 960539-70-2
formula: C19H27N3O6
inchikey: RUEYEZADQJCKGV-UHFFFAOYSA-N
norman_susdat_id: NS00073632
pubchem_cid: 91617630
smiles: O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
inchi:
InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)


cas: 96055-45-7
norman_susdat_id: NS00076092
name:
2-Propenoic acid, 2-methyl-, polymer with diethenylbenzene, compd. with 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine


name: Ammonium 2-(nonylphenoxy)ethyl sulphate
cas: 96097-14-2
formula: C17H28O5S.H3N
inchikey: QNYKCQMJRGWFMX-UHFFFAOYSA-N
norman_susdat_id: NS00093131
smiles: [NH4+].CCCCCCCCCc1ccccc1OCCOS(=O)(=O)[O-]
inchi:
InChI=1/C17H28O5S.H3N/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)21-14-15-22-23(18,19)20;/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,18,19,20);1H3


name: Sodium 2-(nonylphenoxy)ethyl sulphate
cas: 96097-15-3
formula: C17H28O5S
inchikey: VUCGNOAVFXHIEJ-UHFFFAOYSA-M
norman_susdat_id: NS00065700
pubchem_cid: 3024515
smiles: [Na+].O=S(=O)([O-])OCCOC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C17H28O5S.Na/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)21-14-15-22-23(18,19)20;/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,18,19,20);/q;+1/p-1


name: (1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl palmitate
cas: 96097-19-7
chemspiderid: 21167564
dtxsid: DTXSID50242115
formula: C26H50O2
inchikey: VGLJQMIPINKCBI-GVAUOCQISA-N
norman_susdat_id: NS00040472
pubchem_cid: 44144782
smiles: CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
inchi:
InChI=1S/C26H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h22-25H,5-21H2,1-4H3/t23-,24+,25-/m0/s1


name: Guanosine, 2'-deoxy-
cas: 961-07-9
chemspiderid: 618
dtxsid: DTXSID30883626
formula: C10H13N5O4
inchikey: YKBGVTZYEHREMT-UHFFFAOYSA-N
norman_susdat_id: NS00008000
pubchem_cid: 638
smiles: Nc1nc(=O)c2ncn(C3CC(O)C(CO)O3)c2[nH]1
inchi:
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)


name: KK-42
cas: 96108-89-3
chemspiderid: 4942374
formula: C19H24N2
inchikey: JLGZMQRNESBDEI-UHFFFAOYSA-N
norman_susdat_id: NS00004108
pubchem_cid: 114985
smiles: CC(C)=CCCC(C)=Cc1cncn1Cc1ccccc1
inchi:
InChI=1S/C19H24N2/c1-16(2)8-7-9-17(3)12-19-13-20-15-21(19)14-18-10-5-4-6-11-18/h4-6,8,10-13,15H,7,9,14H2,1-3H3


name: 1-Eicosanol, phosphate, potassium salt
cas: 96119-30-1
formula: -
inchikey: XRKHUTAJYWKUGY-UHFFFAOYSA-L
norman_susdat_id: NS00093340
smiles: [K+].CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C20H43O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H2,21,22,23);/q;+1/p-2


name: Acetamide, N-[3-[[4-(diethylamino)-2-methylphenyl]imino]-6-oxo-1,4-cyclohexadien-1-yl]-
cas: 96141-86-5
chemspiderid: 195961
dtxsid: DTXSID6072976
formula: C19H23N3O2
inchikey: CHGIHVWOAFUQLD-UHFFFAOYSA-N
norman_susdat_id: NS00040475
pubchem_cid: NA
smiles: CCN(CC)C1=CC=C(N=C2C=CC(=O)C(NC(C)=O)=C2)C(C)=C1
inchi:
InChI=1S/C19H23N3O2/c1-5-22(6-2)16-8-9-17(13(3)11-16)21-15-7-10-19(24)18(12-15)20-14(4)23/h7-12H,5-6H2,1-4H3,(H,20,23)/b21-15-


name: 4-(Heptafluoropropyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
cas: 96146-10-0
dtxsid: DTXSID30896170
formula: C12H7F7N2O
inchikey: OVKVVQHYQFDCIJ-UHFFFAOYSA-N
norman_susdat_id: NS00110084
smiles: FC(F)(F)C(F)(F)C(F)(F)C1=Nc2ccccc2NC(=O)C1
inchi:
InChI=1S/C12H7F7N2O/c13-10(14,11(15,16)12(17,18)19)8-5-9(22)21-7-4-2-1-3-6(7)20-8/h1-4H,5H2,(H,21,22)


name: 4-(Nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
cas: 96146-12-2
dtxsid: DTXSID80896206
formula: C13H7F9N2O
inchikey: VSNLGZJCMQXKOZ-UHFFFAOYSA-N
norman_susdat_id: NS00111798
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=Nc2ccccc2NC(=O)C1
inchi:
InChI=1S/C13H7F9N2O/c14-10(15,11(16,17)12(18,19)13(20,21)22)8-5-9(25)24-7-4-2-1-3-6(7)23-8/h1-4H,5H2,(H,24,25)


name: Sodium 4-[2-(2-hydroxyethoxy)ethyl] 2-dodecenylsuccinate
cas: 96152-32-8
formula: C20H36O6
inchikey: ZMCXYXSAVYLOQY-UHFFFAOYSA-M
norman_susdat_id: NS00066221
pubchem_cid: NA
smiles: [Na+].O=C(OCCOCCO)CC(C(=O)[O-])CC=CCCCCCCCCC
inchi:
InChI=1/C20H36O6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18(20(23)24)17-19(22)26-16-15-25-14-13-21;/h10-11,18,21H,2-9,12-17H2,1H3,(H,23,24);/q;+1/p-1


name: Microcystin LA
cas: 96180-79-9
chemspiderid: 4941946
dtxsid: DTXSID3031656
formula: C46H67N7O12
inchikey: DIAQQISRBBDJIM-DRSCAGMXSA-N
norman_susdat_id: NS00000580
pubchem_cid: 6437382
inchi:
InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1

smiles:
O=C2N[C@@H](C=CC(=C[C@H](C)[C@@H](OC)Cc1ccccc1)C)[C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N(/C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H]2C)C)CC(C)C)C)C)C


name: Brequinar analog
cas: 96187-27-8
dtxsid: DTXSID90274314
formula: C23H16FNO2
inchikey: WYKKHJQZENLZID-UHFFFAOYSA-N
norman_susdat_id: NS00068884
pubchem_cid: 1543
smiles: Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O
inchi:
InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)


name: Brequinar
cas: 96187-53-0
dtxsid: DTXSID00242165
formula: C23H15F2NO2
inchikey: PHEZJEYUWHETKO-UHFFFAOYSA-N
norman_susdat_id: NS00068683
pubchem_cid: 57030
smiles: Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O
inchi:
InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)


name: 5-[(Heptadecafluorononenyl)oxy]-1,3-benzenedicarboxylic acid
cas: 96210-37-6
dtxsid: DTXSID50893303
formula: C17H5F17O5
inchikey: ULSMOZVJXVYNDX-UHFFFAOYSA-N
norman_susdat_id: NS00110676
smiles: OC(=O)C1=CC(=CC(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C1)C(O)=O
inchi:
InChI=1S/C17H5F17O5/c18-7(8(19)39-6-2-4(9(35)36)1-5(3-6)10(37)38)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-3H,(H,35,36)(H,37,38)


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl 2-fluoroprop-2-enoate
cas: 96250-52-1
dtxsid: DTXSID00627413
formula: C13H6F18O2
inchikey: MYWZAYNXSFHVGM-UHFFFAOYSA-N
norman_susdat_id: NS00108827
smiles: FC(=C)C(=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
inchi:
InChI=1S/C13H6F18O2/c1-4(14)5(32)33-3-2-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)31/h1-3H2


name: Perfluoro-2,2,9,9-tetramethyldeca-3,7-diene
cas: 96288-56-1
dtxsid: DTXSID10893304
formula: C14F26
inchikey: AVAVXFBRAQABKB-UHFFFAOYSA-N
norman_susdat_id: NS00109299
smiles: FC(=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C14F26/c15-1(5(9(23,24)25,10(26,27)28)11(29,30)31)3(17)7(19,20)8(21,22)4(18)2(16)6(12(32,33)34,13(35,36)37)14(38,39)40


name: BENZENESULFONAMIDE, 4-CHLORO-N-[(CYCLOHEXYLAMINO
cas: 963-03-1
chemspiderid: 63582
dtxsid: DTXSID20877236
formula: C13H17Cl1N2O3S1
inchikey: TYZHJGCYLYXPSB-UHFFFAOYSA-N
norman_susdat_id: NS00003063
pubchem_cid: 70403
smiles: Clc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
inchi:
InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)


name: Sulfaethoxypyridazine
cas: 963-14-4
chebiid: CHEBI:145407
chemspiderid: 13158
dtxsid: DTXSID4048696
formula: C12H14N4O3S1
inchikey: FFJIWWBSBCOKLS-UHFFFAOYSA-N
norman_susdat_id: NS00040478
pubchem_cid: 13755
smiles: CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
inchi:
InChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)


name: Demoxepam
cas: 963-39-3
chemspiderid: 10441314
dtxsid: DTXSID4046155
formula: C15H11Cl1N2O2
inchikey: GGRWZBVSUZZMKS-UHFFFAOYSA-N
norman_susdat_id: NS00015681
pubchem_cid: NA
smiles: Clc1ccc2c(c1)C(=N(=O)CC(=N2)O)c1ccccc1
inchi:
InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)


name: 5a-androstan-17-one
cas: 963-74-6
formula: C19H30O
inchikey: YJDYCULVYZDESB-HKQXQEGQSA-N
norman_susdat_id: NS00042052
pubchem_cid: 101927
smiles: O=C1CCC2C3CCC4CCCCC4(C)C3CCC12C
inchi:
InChI=1/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3


name: 5a-androst-2-en-17-one
cas: 963-75-7
dtxsid: DTXSID30914585
formula: C19H28O
inchikey: ISJVDMWNISUFRJ-HKQXQEGQSA-N
norman_susdat_id: NS00042491
pubchem_cid: 101928
smiles: O=C1CCC2C3CCC4CC=CCC4(C)C3CCC12C
inchi:
InChI=1/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3


name: Atamestane
cas: 96301-34-7
dtxsid: DTXSID30869268
formula: C20H26O2
inchikey: PEPMWUSGRKINHX-TXTPUJOMSA-N
norman_susdat_id: NS00069848
pubchem_cid: 57050
smiles: CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C
inchi:
InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1


name: Trypanothione
cas: 96304-42-6
chebiid: CHEBI:17842
dtxsid: DTXSID70242197
formula: C27H49N9O10S2
inchikey: PHDOXVGRXXAYEB-VJANTYMQSA-N
norman_susdat_id: NS00070411
pubchem_cid: 449517
smiles: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O
inchi:
InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1


name: Silane, triethoxy(heptadecafluorooctyl)-
cas: 96305-13-4
dtxsid: DTXSID50470118
formula: C14H15F17O3Si
inchikey: RNFSBWUZJHUNCA-UHFFFAOYSA-N
norman_susdat_id: NS00110549
smiles: CCO[Si](OCC)(OCC)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/C14H15F17O3Si/c1-4-32-35(33-5-2,34-6-3)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h4-6H2,1-3H3


name: Huzhangoside D
cas: 96315-53-6
chemspiderid: 25055981
formula: C64H104O30
inchikey: PLQZZVHULIUSEV-UHFFFAOYNA-N
norman_susdat_id: NS00067904
pubchem_cid: 49799270
inchi:
InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)54(86-25)91-49-31(20-65)88-52(47(80)43(49)76)85-23-32-40(73)42(75)46(79)55(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-57-51(39(72)30(68)22-84-57)93-56-48(81)50(37(70)26(2)87-56)92-53-44(77)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1


name: Onapristone
cas: 96346-61-1
dtxsid: DTXSID90242210
formula: C29H39NO3
inchikey: IEXUMDBQLIVNHZ-YOUGDJEHSA-N
norman_susdat_id: NS00069361
pubchem_cid: 5311505
smiles: CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1
inchi:
InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1


cas: 96353-69-4
dtxsid: DTXSID30882775
norman_susdat_id: NS00109962
name:
.alpha.-[2-Hydroxy-3-[.alpha.-perfluoroisopropylpoly(degree of polymerization 7-15)(difluoromethylene)]propyl]-.omega.-methoxy-poly(degree of polymerization 1-25)(oxyethylene)


name: Ethenyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl carbonate
cas: 96383-57-2
dtxsid: DTXSID30544200
formula: C11H7F13O3
inchikey: GHCQRPYPKRXNOF-UHFFFAOYSA-N
norman_susdat_id: NS00109878
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)OC=C
inchi:
InChI=1S/C11H7F13O3/c1-2-26-5(25)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2


name: 2'-Deoxyuridylic acid
cas: 964-26-1
chebiid: CHEBI:17622
chemspiderid: 668
dtxsid: DTXSID20242223
formula: C9H13N2O8P1
inchikey: JSRLJPSBLDHEIO-SHYZEUOFSA-N
norman_susdat_id: NS00015087
pubchem_cid: 65063
smiles: C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
inchi:
InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1


cas: 96426-90-3
dtxsid: DTXSID50896733
formula: C14H12F17N2NaO4S
inchikey: IDWRANVEUXADFK-UHFFFAOYSA-M
norman_susdat_id: NS00110821
smiles: [Na+].CN(C)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)C(F)(F)F
name:
Sodium {[2-(dimethylamino)ethyl](1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)amino}acetate

inchi:
InChI=1S/C14H13F17N2O4S.Na/c1-32(2)3-4-33(5-6(34)35)38(36,37)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h3-5H2,1-2H3,(H,34,35);/q;+1/p-1


name: (15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-oic acid
cas: 96440-68-5
chemspiderid: 29342018
dtxsid: DTXSID30849343
formula: C21H32O4
inchikey: UEBXYYKXJUBAJX-ULDSDQABSA-N
norman_susdat_id: NS00017054
pubchem_cid: 35020910
smiles: CCCCCC(C)(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
inchi:
InChI=1S/C21H32O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,7,12-14,16-18,25H,3-4,6,8-11,15H2,1-2H3,(H,23,24)/b7-5-,16-14+/t17-,18-,21-/m1/s1


name: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium acetate
cas: 96446-15-0
formula: C20H22ClN6.C2H3O2
inchikey: AXTZLCSSRXDRNO-UHFFFAOYSA-N
norman_susdat_id: NS00092867
smiles: [O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C
inchi:
InChI=1/C20H23ClN6.C2H4O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;1-2(3)4/h6-9,12-13H,4-5,11,14H2,1-3H3;1H3,(H,3,4)


name: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium formate
cas: 96446-16-1
formula: C20H22ClN6.CHO2
inchikey: HRKRVZOWCKCHMY-UHFFFAOYSA-N
norman_susdat_id: NS00092868
smiles: [O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc2cc(Cl)cc3c2N(C)C[NH+]3C
inchi:
InChI=1/C20H23ClN6.CH2O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;2-1-3/h6-9,12-13H,4-5,11,14H2,1-3H3;1H,(H,2,3)


name: Heptyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 96446-17-2
formula: C25H44O2
inchikey: CZTWVENJLWKPDK-LNCSVHMCSA-N
norman_susdat_id: NS00066222
pubchem_cid: 20833828
smiles: O=C(OCCCCCCC)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C25H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h5,7,10-11,13-14H,3-4,6,8-9,12,15-24H2,1-2H3


name: cis-camphoric acid, compound with 2-(diethylamino)ethyl p-aminobenzoate (1:2)
cas: 96446-20-7
formula: C13H20N2O2.1/2C10H16O4
inchikey: PLFYNNGVZNEGDO-WEMFWLSLSA-N
norman_susdat_id: NS00092883
smiles: CCN(CC)CCOC(=O)c1ccc(N)cc1.CCN(CC)CCOC(=O)c2ccc(N)cc2.CC3(C)[C@@H](CC[C@]3(C)C(=O)O)C(=O)O
inchi:
InChI=1/2C13H20N2O2.C10H16O4/c2*1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h2*5-8H,3-4,9-10,14H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)


name: 2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester
cas: 96478-09-0
chemspiderid: 634752
dtxsid: DTXSID0072980
formula: C18H17N3O3
inchikey: VCYCUECVHJJFIQ-UHFFFAOYSA-N
norman_susdat_id: NS00003213
pubchem_cid: 726893
smiles: CC(=C)C(=O)OCCc1ccc(O)c(c1)-n1nc2ccccc2n1
inchi:
InChI=1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3


name: Pyridaben
cas: 96489-71-3
chebiid: CHEBI:38626
chemspiderid: 82852
dtxsid: DTXSID5032573
formula: C19H25Cl1N2O1S1
inchikey: DWFZBUWUXWZWKD-UHFFFAOYSA-N
norman_susdat_id: NS00010535
pubchem_cid: 91754
smiles: CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
eea_notation: CAS_96489-71-3
inchi:
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3


name: Thenylchlor
cas: 96491-05-3
chebiid: CHEBI:9520
chemspiderid: 391337
dtxsid: DTXSID0058227
formula: C16H18Cl1N1O2S1
inchikey: KDWQYMVPYJGPHS-UHFFFAOYSA-N
norman_susdat_id: NS00002040
pubchem_cid: 443036
smiles: COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C
inchi:
InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3


cas: 96497-21-1
dtxsid: DTXSID10895727
formula: C20H8F34S
inchikey: HINXQBCQQBVCIK-UHFFFAOYSA-N
norman_susdat_id: NS00109367
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)sulfanyl]decane

inchi:
InChI=1S/C20H8F34S/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)1-3-55-4-2-6(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

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)CCSCCC(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: RodorubicinÂ
cas: 96497-67-5
chemspiderid: 51484
formula: C48H64N2O17
inchikey: JXVAMODRWBNUSF-KZQKBALLSA-N
norman_susdat_id: NS00011910
pubchem_cid: 57097
inchi:
InChI=1S/C48H64N2O17/c1-10-48(58)18-30(64-31-15-25(50(8)9)44(21(4)60-31)65-33-17-28-45(22(5)61-33)67-47-29(63-28)16-27(52)19(2)62-47)35-38(46(48)66-32-14-24(49(6)7)39(53)20(3)59-32)43(57)36-37(42(35)56)41(55)34-23(40(36)54)12-11-13-26(34)51/h11-13,19-22,24-25,28-33,39,44-47,51,53,56-58H,10,14-18H2,1-9H3/t19-,20-,21-,22-,24-,25-,28-,29-,30-,31-,32-,33-,39+,44+,45+,46+,47-,48+/m0/s1

smiles:
CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4O)C3=O)O)[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C[C@H]8[C@@H]([C@@H](O7)C)O[C@H]9[C@@H](O8)CC(=O)[C@@H](O9)C)N(C)C)O


name: Benzyl(decyl)dimethylammonium chloride
cas: 965-32-2
formula: C19H34N.Cl
inchikey: TTZLKXKJIMOHHG-UHFFFAOYSA-M
norman_susdat_id: NS00079844
smiles: [Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1


name: Nifuroxazide
cas: 965-52-6
chebiid: CHEBI:135136
chemspiderid: 4495115
dtxsid: DTXSID4045343
formula: C12H9N3O5
inchikey: YCWSUKQGVSGXJO-NTUHNPAUSA-N
norman_susdat_id: NS00007819
pubchem_cid: 5337997
smiles: Oc1ccc(cc1)C(=O)NN=Cc1ccc(o1)[N+]([O-])=O
inchi:
InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+


name: Ethylestrenol
cas: 965-90-2
chebiid: CHEBI:31578
chemspiderid: 13168
dtxsid: DTXSID6023024
formula: C20H32O1
inchikey: AOXRBFRFYPMWLR-XGXHKTLJSA-N
norman_susdat_id: NS00040493
pubchem_cid: 13765
smiles: CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
inchi:
InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1


name: Methyltrienolone
cas: 965-93-5
chemspiderid: 4299804
dtxsid: DTXSID8034162
formula: C19H24O2
inchikey: CCCIJQPRIXGQOE-UHFFFAOYSA-N
norman_susdat_id: NS00002597
pubchem_cid: 5125276
smiles: CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C
inchi:
InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3


name: 3-[[(5-amino-1,3,3-trimethylcyclohexyl)methyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 96507-73-2
dtxsid: DTXSID90914480
formula: C34H68N2O3
inchikey: GIGKALGXBCPIBB-UHFFFAOYSA-N
norman_susdat_id: NS00066606
pubchem_cid: 16206153
smiles: O=C(OCC(O)CNCC1(C)CC(N)CC(C)(C)C1)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C34H68N2O3/c1-7-9-11-13-15-17-19-21-34(6,22-20-18-16-14-12-10-8-2)31(38)39-26-30(37)25-36-28-33(5)24-29(35)23-32(3,4)27-33/h29-30,36-37H,7-28,35H2,1-6H3


name: 3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 96507-74-3
dtxsid: DTXSID80914479
formula: C34H68N2O3
inchikey: OYOPDZOHRMVDMG-UHFFFAOYSA-N
norman_susdat_id: NS00066223
pubchem_cid: 16206154
smiles: O=C(OCC(O)CNC1CC(C)(C)CC(C)(CN)C1)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C34H68N2O3/c1-7-9-11-13-15-17-19-21-34(6,22-20-18-16-14-12-10-8-2)31(38)39-26-30(37)25-36-29-23-32(3,4)27-33(5,24-29)28-35/h29-30,36-37H,7-28,35H2,1-6H3


name: 3-[bis(2-hydroxypropyl)amino]-2-hydroxypropyl 2-methyl-2-nonylundecanoate
cas: 96507-75-4
dtxsid: DTXSID20914478
formula: C30H61NO5
inchikey: GBWKVMIBMYVCPK-UHFFFAOYSA-N
norman_susdat_id: NS00065761
pubchem_cid: 16206155
smiles: O=C(OCC(O)CN(CC(O)C)CC(O)C)C(C)(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C30H61NO5/c1-6-8-10-12-14-16-18-20-30(5,21-19-17-15-13-11-9-7-2)29(35)36-25-28(34)24-31(22-26(3)32)23-27(4)33/h26-28,32-34H,6-25H2,1-5H3


name: Decyl nonyl phthalate
cas: 96507-76-5
chemspiderid: 2290464
dtxsid: DTXSID40242285
formula: C27H44O4
inchikey: NSZKIDSVINDASL-UHFFFAOYSA-N
norman_susdat_id: NS00040482
pubchem_cid: 3024584
smiles: CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
inchi:
InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h16-17,20-21H,3-15,18-19,22-23H2,1-2H3


name: D-galacturonic acid, compound with L-lysine (1:1)
cas: 96507-77-6
formula: C6H14N2O2.C6H10O7
inchikey: OCYCLZVRYWSMGW-GYCJZBAESA-N
norman_susdat_id: NS00092884
smiles: NCCCC[C@H](N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
inchi:
InChI=1/C6H14N2O2.C6H10O7/c7-4-2-1-3-5(8)6(9)10;7-1-2(8)3(9)4(10)5(11)6(12)13/h5H,1-4,7-8H2,(H,9,10);1-5,8-11H,(H,12,13)


name: Isoundecyl nonyl phthalate
cas: 96507-78-7
chemspiderid: 57518932
dtxsid: DTXSID60242287
formula: C28H46O4
inchikey: HUALTRQOTJFLAA-UHFFFAOYSA-N
norman_susdat_id: NS00040483
pubchem_cid: 44151435
smiles: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
inchi:
InChI=1S/C28H46O4/c1-4-5-6-7-9-12-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-18-13-10-8-11-14-19-24(2)3/h15-16,20-21,24H,4-14,17-19,22-23H2,1-3H3


name: Isoundecyl undecyl phthalate
cas: 96507-79-8
chemspiderid: 57518933
dtxsid: DTXSID20242288
formula: C30H50O4
inchikey: OYHZQPKPMIDXGI-UHFFFAOYSA-N
norman_susdat_id: NS00040484
pubchem_cid: 44152044
smiles: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
inchi:
InChI=1S/C30H50O4/c1-4-5-6-7-8-9-11-14-19-24-33-29(31)27-22-17-18-23-28(27)30(32)34-25-20-15-12-10-13-16-21-26(2)3/h17-18,22-23,26H,4-16,19-21,24-25H2,1-3H3


name: Decyl isoundecyl phthalate
cas: 96507-80-1
chemspiderid: 34996966
dtxsid: DTXSID80242289
formula: C29H48O4
inchikey: IKSMHHLEDXGDIF-UHFFFAOYSA-N
norman_susdat_id: NS00040485
pubchem_cid: 44150117
smiles: CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
inchi:
InChI=1S/C29H48O4/c1-4-5-6-7-8-10-13-18-23-32-28(30)26-21-16-17-22-27(26)29(31)33-24-19-14-11-9-12-15-20-25(2)3/h16-17,21-22,25H,4-15,18-20,23-24H2,1-3H3


name: Isodecyl undecyl phthalate
cas: 96507-81-2
chemspiderid: 34997134
dtxsid: DTXSID90242290
formula: C29H48O4
inchikey: YEENWFLPSQDAJU-UHFFFAOYSA-N
norman_susdat_id: NS00040486
pubchem_cid: 44152594
smiles: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-13-18-23-32-28(30)26-21-16-17-22-27(26)29(31)33-24-19-14-11-12-15-20-25(2)3/h16-17,21-22,25H,4-15,18-20,23-24H2,1-3H3


name: Isononyl undecyl phthalate
cas: 96507-82-3
chemspiderid: 57518902
dtxsid: DTXSID50242291
formula: C28H46O4
inchikey: PPBXJBDOPMSPTL-UHFFFAOYSA-N
norman_susdat_id: NS00040487
pubchem_cid: 44151130
smiles: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-12-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-18-13-11-14-19-24(2)3/h15-16,20-21,24H,4-14,17-19,22-23H2,1-3H3


name: Decyl isononyl phthalate
cas: 96507-83-4
chemspiderid: 34996965
dtxsid: DTXSID10242292
formula: C27H44O4
inchikey: YZHDZDITQRCTQB-UHFFFAOYSA-N
norman_susdat_id: NS00040488
pubchem_cid: 44147487
smiles: CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C27H44O4/c1-4-5-6-7-8-9-11-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-10-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3


name: Isooctyl undecyl phthalate
cas: 96507-84-5
chemspiderid: NA
dtxsid: DTXSID70242293
formula: C27H44O4
inchikey: ASYJIYUQBUFLPP-UHFFFAOYSA-N
norman_susdat_id: NS00040489
pubchem_cid: 44146021
smiles: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
inchi:
InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3


name: Isooctyl nonyl phthalate
cas: 96507-85-6
chemspiderid: NA
dtxsid: DTXSID30242294
formula: C25H40O4
inchikey: VXRCCQHRKSLUGE-UHFFFAOYSA-N
norman_susdat_id: NS00040490
pubchem_cid: 44150511
smiles: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
inchi:
InChI=1S/C25H40O4/c1-4-5-6-7-8-9-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20-15-10-11-16-21(2)3/h12-13,17-18,21H,4-11,14-16,19-20H2,1-3H3


name: Diisoundecyl phthalate
cas: 96507-86-7
chemspiderid: 153056
dtxsid: DTXSID90242295
formula: C30H50O4
inchikey: LGBAGUMSAPUZPU-UHFFFAOYSA-N
norman_susdat_id: NS00020359
pubchem_cid: 175686
smiles: CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
inchi:
InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3


name: {3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-4-yl}oxidanesulfonic acid
cas: 96519-18-5
formula: C6H10O8S
inchikey: BBGPRYFPTZDJIZ-PHYPRBDBSA-N
norman_susdat_id: NS00070056
pubchem_cid: 446806
smiles: O=S(=O)(O)O[C@H]1[C@@H](O)O[C@@H]2CO[C@H]1[C@H]2O
inchi:
InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1


name: Flurtamone
cas: 96525-23-4
chebiid: CHEBI:138738
chemspiderid: 82853
dtxsid: DTXSID5058228
formula: C18H14F3N1O2
inchikey: NYRMIJKDBAQCHC-UHFFFAOYSA-N
norman_susdat_id: NS00009620
pubchem_cid: 91755
smiles: CNC1=C(C(=O)C(O1)c1ccccc1)c1cccc(c1)C(F)(F)F
inchi:
InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3


name: Carboxymethyldimethyl-3-[(1-oxoundecyl)amino]propylammonium hydroxide
cas: 96565-37-6
dtxsid: DTXSID60242328
formula: C18H37N2O3
inchikey: YFDWYIFDWNQHKS-UHFFFAOYSA-N
norman_susdat_id: NS00066611
pubchem_cid: 3024595
smiles: [OH-].O=C(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCC
inchi:
InChI=1/C18H36N2O3.H2O/c1-4-5-6-7-8-9-10-11-13-17(21)19-14-12-15-20(2,3)16-18(22)23;/h4-16H2,1-3H3,(H-,19,21,22,23);1H2


name: 4-[(Heptadecafluorooctyl)oxy]benzene-1,3-diamine
cas: 96573-73-8
dtxsid: DTXSID50760102
formula: C14H7F17N2O
inchikey: MNBWQFQWDVQHGA-UHFFFAOYSA-N
norman_susdat_id: NS00110581
smiles: NC1=CC(N)=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H7F17N2O/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)34-6-2-1-4(32)3-5(6)33/h1-3H,32-33H2


name: Salvianolic acid A
cas: 96574-01-5
chebiid: CHEBI:9017
chemspiderid: 4445105
formula: C26H22O10
inchikey: YMGFTDKNIWPMGF-UCPJVGPRSA-N
norman_susdat_id: NS00018035
pubchem_cid: 5281793
smiles: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O
inchi:
InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1


name: N-[[[1-oxo-3-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl]amino]methyl]acrylamide
cas: 96591-13-8
dtxsid: DTXSID60242348
formula: C12H21N5O3
inchikey: AZVSESGSBWESMH-UHFFFAOYSA-N
norman_susdat_id: NS00066228
pubchem_cid: 3024600
smiles: O=C(C=C)NCNC(=O)CCNCCN1C(=O)NCC1
inchi:
InChI=1/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19)


name: BASIC BLUE 6
cas: 966-62-1
chemspiderid: 73542
formula: C18H15N2O1
inchikey: BZAQMGZYZWMMRU-UHFFFAOYSA-N
norman_susdat_id: NS00013375
pubchem_cid: 81507
smiles: [Cl-].CN(C)c1ccc2nc3c(ccc4ccccc34)[o+]c2c1
inchi:
InChI=1S/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1


name: Lifibrol
cas: 96609-16-4
chemspiderid: 51499
formula: C21H26O4
inchikey: LNXBEIZREVRNTF-UHFFFAOYSA-N
norman_susdat_id: NS00001546
pubchem_cid: 57112
smiles: CC(C)(C)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O
inchi:
InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)


name: (trans,trans)-4-Butyl-4'-propyl-1,1'-bicyclohexyl
cas: 96624-52-1
chemspiderid: 9261809
dtxsid: DTXSID70454758
formula: C19H36
inchikey: QYGWJCMCLQAINT-UHFFFAOYSA-N
norman_susdat_id: NS00040496
pubchem_cid: 11086663
smiles: CCCCC1CCC(CC1)C1CCC(CCC)CC1
inchi:
InChI=1S/C19H36/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h16-19H,3-15H2,1-2H3/t16-,17-,18+,19+


name: 2-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-D-glucose tetraacetate
cas: 96646-72-9
dtxsid: DTXSID90914405
formula: C26H36O17
inchikey: CJKPKKQINBPEMV-JKXWTTGASA-N
norman_susdat_id: NS00065397
pubchem_cid: NA
smiles: O=CC(OC1OC(C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C
inchi:
InChI=1/C26H36O17/c1-11-21(38-14(4)30)24(41-17(7)33)25(42-18(8)34)26(36-11)43-19(9-27)22(39-15(5)31)23(40-16(6)32)20(37-13(3)29)10-35-12(2)28/h9,11,19-26H,10H2,1-8H3


name: (3'a,4'a,5'ß,6'aa)-5'-(benzoyloxy)hexahydrospiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-methanol
cas: 96648-14-5
dtxsid: DTXSID40242381
formula: C18H22O5
inchikey: FYOSUIUCEARTOE-PBBYBOOSSA-N
norman_susdat_id: NS00065398
pubchem_cid: NA
smiles: O=C(OC1CC2CC3(OCCO3)CC2C1CO)C=4C=CC=CC4
inchi:
InChI=1/C18H22O5/c19-11-15-14-10-18(21-6-7-22-18)9-13(14)8-16(15)23-17(20)12-4-2-1-3-5-12/h1-5,13-16,19H,6-11H2


cas: 96648-15-6
dtxsid: DTXSID00242382
formula: C17H32O4Si
inchikey: ADRWUKNDQZKRCK-XGUBFFRZSA-N
norman_susdat_id: NS00065399
pubchem_cid: 11023956
smiles: OCC1C(O[Si](C)(C)C(C)(C)C)CC2CC3(OCCO3)CC21
name:
(3'aa,4'a,5'ß,6'aa)-5'-[[(tert-butyl)dimethylsilyl]oxy]hexahydrospiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4'-methanol

inchi:
InChI=1/C17H32O4Si/c1-16(2,3)22(4,5)21-15-8-12-9-17(19-6-7-20-17)10-13(12)14(15)11-18/h12-15,18H,6-11H2,1-5H3


name: 3-(Benzyl{4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile
cas: 96662-24-7
chemspiderid: 35797976
dtxsid: DTXSID00579009
formula: C22H19N5O2
inchikey: AJKOAOUQPNLZTF-UHFFFAOYSA-N
norman_susdat_id: NS00007201
pubchem_cid: 15869329
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)N(CCC#N)Cc1ccccc1
inchi:
InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2


name: 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate
cas: 96692-62-5
dtxsid: DTXSID90242391
formula: C27H48O8S2
inchikey: CSHJDPGSPSZKHR-UHFFFAOYSA-N
norman_susdat_id: NS00066506
pubchem_cid: 53422756
smiles: O=C(OCC(COC(=O)CCS)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCS
inchi:
InChI=1/C27H48O8S2/c1-3-5-7-9-11-13-23(28)32-19-27(21-34-25(30)15-17-36,22-35-26(31)16-18-37)20-33-24(29)14-12-10-8-6-4-2/h36-37H,3-22H2,1-2H3


name: N'1-quinoxalin-2-ylsulphanilamide, sodium salt
cas: 967-80-6
formula: C14H12N4O2S.Na
inchikey: WXUQBKOBXREBBX-UHFFFAOYSA-N
norman_susdat_id: NS00079609
smiles: Nc1ccc(cc1)S(=O)(=O)N([Na])c2cnc3ccccc3n2
inchi:
InChI=1/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1/rC14H11N4NaO2S/c15-10-5-7-11(8-6-10)22(20,21)18(19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2


name: Thiophene, 3-(heptadecafluorooctyl)-
cas: 96721-82-3
dtxsid: DTXSID90441943
formula: C12H3F17S
inchikey: HCQJAAKQIMFGKR-UHFFFAOYSA-N
norman_susdat_id: NS00111923
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)C1=CSC=C1
inchi:
InChI=1S/C12H3F17S/c13-5(14,4-1-2-30-3-4)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H


name: Pentadecafluoroheptyl 2-methylprop-2-enoate
cas: 96724-20-8
dtxsid: DTXSID90624471
formula: C11H5F15O2
inchikey: HEFHMJVNMXDZKE-UHFFFAOYSA-N
norman_susdat_id: NS00111939
smiles: CC(=C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H5F15O2/c1-3(2)4(27)28-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h1H2,2H3


name: U-69593
cas: 96744-75-1
chebiid: CHEBI:73357
dtxsid: DTXSID3046326
formula: C22H32N2O2
inchikey: PGZRDDYTKFZSFR-ONTIZHBOSA-N
norman_susdat_id: NS00097763
smiles: CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4
inchi:
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodohexadecane
cas: 96791-81-0
dtxsid: DTXSID00895312
formula: C16H16F17I
inchikey: HIRWAQFMDABHLG-UHFFFAOYSA-N
norman_susdat_id: NS00108960
smiles: CCCCCCC(I)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=1/C16H16F17I/c1-2-3-4-5-6-8(34)7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8H,2-7H2,1H3


name: N-L-leucyl-L-tyrosine
cas: 968-21-8
chebiid: CHEBI:73591
formula: C15H22N2O4
inchikey: LHSGPCFBGJHPCY-STQMWFEESA-N
norman_susdat_id: NS00042492
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)CC(C)C)CC1=CC=C(O)C=C1
inchi:
InChI=1/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)


name: Benzacine
cas: 968-46-7
chemspiderid: 13171
dtxsid: DTXSID40242508
formula: C18H21N1O3
inchikey: BUEPKUNNPRRSKV-UHFFFAOYSA-N
norman_susdat_id: NS00008010
pubchem_cid: 13768
smiles: CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H21NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,21H,13-14H2,1-2H3


name: a,a-diphenylpiperidine-1-propanol hydrochloride
cas: 968-58-1
formula: C20H25NO.ClH
inchikey: IECCHUISCGCKKS-UHFFFAOYSA-N
norman_susdat_id: NS00080104
smiles: Cl.OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C20H25NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H


name: Butinoline
cas: 968-63-8
chebiid: CHEBI:135213
chemspiderid: 62168
dtxsid: DTXSID3046295
formula: C20H21N1O1
inchikey: LWPXJPFOEPMIRG-UHFFFAOYSA-N
norman_susdat_id: NS00006813
pubchem_cid: 68943
smiles: OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H21NO/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21/h1-6,10-13,22H,7-8,15-17H2


name: Acetohexamide
cas: 968-81-0
chebiid: CHEBI:28052
chemspiderid: 1912
dtxsid: DTXSID7020007
formula: C15H20N2O4S1
inchikey: VGZSUPCWNCWDAN-UHFFFAOYSA-N
norman_susdat_id: NS00006055
pubchem_cid: 1989
smiles: CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
inchi:
InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)


name: 1-benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile
cas: 968-85-4
dtxsid: DTXSID30242512
formula: C19H27N3
inchikey: MNEJRCLOVDRIAQ-UHFFFAOYSA-N
norman_susdat_id: NS00042493
pubchem_cid: 70411
smiles: N#CC1(NC2CCCCC2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2


name: 4-anilino-1-benzylpiperidine-4-carbonitrile
cas: 968-86-5
dtxsid: DTXSID90242513
formula: C19H21N3
inchikey: AYYPQRMTCMCFSL-UHFFFAOYSA-N
norman_susdat_id: NS00042522
pubchem_cid: 70412
smiles: N#CC1(NC=2C=CC=CC2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2


name: Testolactone
cas: 968-93-4
chebiid: CHEBI:9460
chemspiderid: 13172
dtxsid: DTXSID2023644
formula: C19H24O3
inchikey: BPEWUONYVDABNZ-DZBHQSCQSA-N
norman_susdat_id: NS00004469
pubchem_cid: 13769
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
inchi:
InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1


cas: 96805-64-0
formula: C37H57NO2
norman_susdat_id: NS00101856
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[[[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]amino]carbonyl]-.omega.-(dinonylphenoxy)-


cas: 96828-30-7
formula: C28H39NO2
norman_susdat_id: NS00101301
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[[[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]amino]carbonyl]-.omega.-(nonylphenoxy)-


name: Orlistat
cas: 96829-58-2
chebiid: CHEBI:94686
chemspiderid: 2298564
dtxsid: DTXSID8023395
formula: C29H53N1O5
inchikey: AHLBNYSZXLDEJQ-FWEHEUNISA-N
norman_susdat_id: NS00004788
pubchem_cid: 3034010
smiles: CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
inchi:
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1


name: (2-hydroxyethyl)methyldioleylammonium chloride
cas: 96837-05-7
formula: C39H78NO
inchikey: ZRMNOOHUVNXIGY-YIQDKWKASA-M
norman_susdat_id: NS00065901
pubchem_cid: 20837998
smiles: [Cl-].OCC[N+](C)(CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C39H78NO.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(3,38-39-41)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,41H,4-17,22-39H2,1-3H3;1H/q+1;/p-1


name: Diammonium 7-acetamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 96846-68-3
formula: C24H19N5O8S2
inchikey: IGMRMEZWBPZHOT-UHFFFAOYSA-N
norman_susdat_id: NS00065903
pubchem_cid: 136086475
inchi:
InChI=1/C24H19N5O8S2.2H3N/c1-14(30)25-19-8-11-21-15(12-19)13-22(39(35,36)37)23(24(21)31)29-28-17-4-2-16(3-5-17)26-27-18-6-9-20(10-7-18)38(32,33)34;;/h2-13,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37);2*1H3

smiles:
O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C2O)S(=O)(=O)[O-])C.[NH4+].[NH4+]


cas: 96846-70-7
formula: C33H29N11O7S2
inchikey: PNYVACRZHPCNJM-UHFFFAOYSA-N
norman_susdat_id: NS00065509
pubchem_cid: 136086478
name:
Benzenesulfonic acid, 3-[5-amino-4-[[4-[[4-[[5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)

inchi:
InChI=1/C33H29N11O7S2.2C6H15NO3/c1-19-29(31(34)43(41-19)25-5-3-7-27(17-25)52(46,47)48)39-37-23-11-9-21(10-12-23)33(45)36-22-13-15-24(16-14-22)38-40-30-20(2)42-44(32(30)35)26-6-4-8-28(18-26)53(49,50)51;2*8-4-1-7(2-5-9)3-6-10/h3-18H,34-35H2,1-2H3,(H,36,45)(H,46,47,48)(H,49,50,51);2*8-10H,1-6H2

smiles:
O=C(NC1=CC=C(N=NC=2C(=NN(C3=CC=CC(=C3)S(=O)(=O)O)C2N)C)C=C1)C4=CC=C(N=NC=5C(=NN(C6=CC=CC(=C6)S(=O)(=O)O)C5N)C)C=C4.OCCN(CCO)CCO.OCCN(CCO)CCO


name: Dipotassium 4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 96846-71-8
formula: C28H24N4O8S2.2K
inchikey: JSLYSSPOBIJAJL-ZCKCZGSLSA-L
norman_susdat_id: NS00093310
smiles: [K+].[K+].COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4
inchi:
InChI=1/C28H24N4O8S2.2K/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22;;/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


cas: 96873-61-9
formula: C40H32N8O14S4
inchikey: ILMOHSXFHWROGI-RVWSMIFSSA-J
norman_susdat_id: NS00065959
pubchem_cid: 44152311
name:
Tetrasodium 4,4'-bis[3-[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]oxadiaziridinyl]stilbene-2,2'-disulphonate

inchi:
InChI=1/C40H32N8O14S4.4Na/c1-25-21-31(13-19-37(25)43-41-29-7-15-35(16-8-29)63(49,50)51)45-47(61-45)33-11-5-27(39(23-33)65(55,56)57)3-4-28-6-12-34(24-40(28)66(58,59)60)48-46(62-48)32-14-20-38(26(2)22-32)44-42-30-9-17-36(18-10-30)64(52,53)54;;;;/h3-24H,1-2H3,(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=S(=O)([O-])C1=CC=C(N=NC2=CC=C(C=C2C)N3ON3C4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)[O-])N6ON6C7=CC=C(N=NC8=CC=C(C=C8)S(=O)(=O)[O-])C(=C7)C)C(=C4)S(=O)(=O)[O-])C=C1


name: Cyproheptadine hydrochloride
cas: 969-33-5
chebiid: CHEBI:59695
formula: C21H21N.ClH
inchikey: ZPMVNZLARAEGHB-UHFFFAOYSA-N
norman_susdat_id: NS00093506
smiles: Cl.CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1
inchi:
InChI=1/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H


name: Chlorpromazine sulphoxide
cas: 969-99-3
chebiid: CHEBI:125461
chemspiderid: 63592
formula: C17H19Cl1N2O1S1
inchikey: QEPPAOXKZOTMPM-UHFFFAOYSA-N
norman_susdat_id: NS00001061
pubchem_cid: 70413
smiles: CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc12
inchi:
InChI=InChI=1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3/t22-/m1/s1


name: Atracurium
cas: 96946-41-7
chebiid: CHEBI:140621
dtxsid: DTXSID60873212
formula: C53H72N2O12
inchikey: YXSLJKQTIDHPOT-LJCJQEJUSA-N
norman_susdat_id: NS00073635
pubchem_cid: 62887
inchi:
InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1

smiles:
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC


name: Cisatracurium besylate
cas: 96946-42-8
chebiid: CHEBI:145661
dtxsid: DTXSID9041027
formula: C18H28O2
inchikey: CMXKUJNZWYTFJN-XFUVECHXSA-N
norman_susdat_id: NS00071783
pubchem_cid: 9835303
smiles: C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1


name: Disodium 4-(2-ethylhexyl) 2-sulphonatosuccinate
cas: 96954-01-7
dtxsid: DTXSID30914242
formula: C12H22O7S
inchikey: KMXXRPGQXIGGPO-UHFFFAOYSA-L
norman_susdat_id: NS00065452
pubchem_cid: 11971407
smiles: [Na+].[Na+].O=C(OCC(CC)CCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C12H22O7S.2Na/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;;/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2


name: [4-[(4,6-diamino-m-tolyl)imino]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride
cas: 97-26-7
dtxsid: DTXSID20914231
formula: C15H19N4
inchikey: SRAVWPVICTXESG-UHFFFAOYSA-N
norman_susdat_id: NS00041042
pubchem_cid: NA
smiles: [Cl-].N(=C1C=CC(C=C1)=[N+](C)C)C=2C=C(C(N)=CC2N)C
inchi:
InChI=1/C15H18N4.ClH/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3;/h4-9H,1-3H3,(H3,16,17);1H


name: Benzenesulfonic acid, 3-amino-4-[(4-aminophenyl)amino]-
cas: 97-34-7
chemspiderid: 60168
dtxsid: DTXSID6059150
formula: C12H13N3O3S1
inchikey: ACKJQSTXPUVROE-UHFFFAOYSA-N
norman_susdat_id: NS00040513
pubchem_cid: 66803
smiles: Nc1ccc(Nc2c(N)cc(cc2)S(=O)(=O)O)cc1
inchi:
InChI=1S/C12H13N3O3S/c13-8-1-3-9(4-2-8)15-12-6-5-10(7-11(12)14)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)


name: Hyoscine N-oxide
cas: 97-75-6
formula: C17H21NO5
inchikey: GSYQNAMOFFWAPF-UHFFFAOYSA-N
norman_susdat_id: NS00078806
smiles: CN1(=O)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4
inchi:
InChI=1/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3


name: (Z)-2-(methyloleylamino)ethanesulphonic acid
cas: 97-80-3
formula: C21H41NO4S
inchikey: JACPTQMMZGZAOL-KHPPLWFESA-N
norman_susdat_id: NS00078959
smiles: CCCCCCCC\C=C/CCCCCCCCN(C)CCS(=O)(=O)O
inchi:
InChI=1/C21H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25)


name: N,N'-bis(Perfluorononanoyl)1,2-ethanediamine
cas: 97005-61-3
dtxsid: DTXSID60897251
formula: C20H6F34N2O2
inchikey: ZCIGXLUYTDHBRN-UHFFFAOYSA-N
norman_susdat_id: NS00111170
inchi:
InChI=1S/C20H6F34N2O2/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)3(57)55-1-2-56-4(58)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/h1-2H2,(H,55,57)(H,56,58)

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(=O)NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-[[4-(benzylethylamino)-m-tolyl]azo]-benzothiazole-5-sulphonic acid
cas: 97043-67-9
formula: C23H22N4O3S2
inchikey: UPLZSUKVPFFJMY-UHFFFAOYSA-N
norman_susdat_id: NS00092705
smiles: OS(=O)(=O)c3cc4nc(N=Nc1cc(C)c(cc1)N(Cc2ccccc2)CC)sc4cc3
inchi:
InChI=1/C23H22N4O3S2/c1-3-27(15-17-7-5-4-6-8-17)21-11-9-18(13-16(21)2)25-26-23-24-20-14-19(32(28,29)30)10-12-22(20)31-23/h4-14H,3,15H2,1-2H3,(H,28,29,30)


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydroxide
cas: 97043-68-0
formula: C21H21ClN5O2.HO
inchikey: ACWDAQHUTFPPCN-UHFFFAOYSA-M
norman_susdat_id: NS00092992
smiles: [OH-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H21ClN5O2.H2O/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H2/q+1;/p-1


name: 2-[(1,1-dimethylethyl)[2-hydroxy-3-(tetradecyloxy)propyl]amino]ethyl methacrylate hydrochloride
cas: 97043-70-4
dtxsid: DTXSID60914199
formula: C27H53NO4
inchikey: SUILGOSEMVRNBG-UHFFFAOYSA-N
norman_susdat_id: NS00065453
pubchem_cid: 3024730
smiles: Cl.O=C(OCCN(CC(O)COCCCCCCCCCCCCCC)C(C)(C)C)C(=C)C
inchi:
InChI=1/C27H53NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-31-23-25(29)22-28(27(4,5)6)19-21-32-26(30)24(2)3;/h25,29H,2,7-23H2,1,3-6H3;1H


cas: 97043-71-5
formula: C29H23N3O20S6
inchikey: OWALVSYTHHUECO-UHFFFAOYSA-I
norman_susdat_id: NS00065454
pubchem_cid: NA
name:
Pentasodium 2-[[1-hydroxy-3,6-disulphonato-8-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]benzoyl]amino]-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,33H,9-10H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5

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


name: Elsamitrucin
cas: 97068-30-9
chemspiderid: 4514988
formula: C33H35N1O13
inchikey: MGQRRMONVLMKJL-KWJIQSIXSA-N
norman_susdat_id: NS00011750
pubchem_cid: 5362259
inchi:
InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1

smiles:
Cc1ccc2c3c1c(=O)oc4c3c(c(c5c4c(ccc5)O[C@H]6[C@@H]([C@@]([C@H]([C@H](O6)C)O)(C)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)OC)N)O)c(=O)o2


name: N-[1-(benzyl)-4-piperidyl]benzamide
cas: 971-34-6
dtxsid: DTXSID00242701
formula: C19H22N2O
inchikey: LDGORKJXEGHFBK-UHFFFAOYSA-N
norman_susdat_id: NS00042945
pubchem_cid: 40598
smiles: O=C(NC1CCN(CC=2C=CC=CC2)CC1)C=3C=CC=CC3
inchi:
InChI=1/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)


name: 3-(2-aminoethyl)indol-5-ol--2-imino-1-methylimidazolidin-4-one sulphate (1:1)
cas: 971-74-4
chebiid: CHEBI:166585
formula: C10H12N2O.C4H7N3O.H2O4S
inchikey: WFZKRNIMSVDNBU-UHFFFAOYSA-N
norman_susdat_id: NS00079845
smiles: CN1CC(=O)NC1=N.NCCc2c[nH]c3ccc(O)cc23.OS(=O)(=O)O
inchi:
InChI=1/C10H12N2O.C4H7N3O.H2O4S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)


name: Bonannione A
cas: 97126-57-3
chemspiderid: 4653755
dtxsid: DTXSID10420836
formula: C25H28O5
inchikey: XYIQIBWIEGCVQY-RWHUQTJRSA-N
norman_susdat_id: NS00094640
pubchem_cid: 5716903
smiles: CC(C)=CCCC(C)=CCC1=C(O)C2=C(O[C@@H](CC2=O)C2=CC=C(O)C=C2)C=C1O
inchi:
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1


cas: 97136-02-2
dtxsid: DTXSID80897657
norman_susdat_id: NS00111879
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) (9CI)


name: Chlorobis(pentyloxy)titanium
cas: 97158-24-2
formula: C10H22ClO2Ti
inchikey: WDHNONKQZUKDDT-UHFFFAOYSA-M
norman_susdat_id: NS00092676
smiles: CCCCCO[Ti](Cl)OCCCCC
inchi:
InChI=1/2C5H11O.ClH.Ti/c2*1-2-3-4-5-6;;/h2*2-5H2,1H3;1H;/q2*-1;;+3/p-1/rC10H22ClO2Ti/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3


name: Disodium 1-phenyl-3-[[4-[(thiazol-2-ylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate
cas: 97158-27-5
dtxsid: DTXSID20914094
formula: C18H19N3O8S4
inchikey: JXLABHNSZRWXMA-UHFFFAOYSA-L
norman_susdat_id: NS00065360
pubchem_cid: 16206168
smiles: [Na+].[Na+].O=S(=O)([O-])C(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2)CC(C=3C=CC=CC3)S(=O)(=O)[O-]
inchi:
InChI=1/C18H19N3O8S4.2Na/c22-31(23,21-18-19-10-11-30-18)15-8-6-14(7-9-15)20-17(33(27,28)29)12-16(32(24,25)26)13-4-2-1-3-5-13;;/h1-11,16-17,20H,12H2,(H,19,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Dipalmitoylethyl dimonium chloride
cas: 97158-31-1
chemspiderid: 2290628
dtxsid: DTXSID60892009
formula: C38H76N1O4
inchikey: RBHTWQXKDSIXSJ-UHFFFAOYSA-N
norman_susdat_id: NS00013606
pubchem_cid: 3024758
smiles: [Cl-].CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H76NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-36H2,1-4H3;1H/q+1;/p-1


cas: 97158-32-2
formula: C26H33N3.Cl2Zn.2Cl
inchikey: DFWNDZXBHVLQRA-UHFFFAOYSA-J
norman_susdat_id: NS00092677
smiles: [Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C
name:
4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride compound with zinc chloride (1:1)

inchi:
InChI=1/C26H33N3.4ClH.Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;;;;/h8-19H,1-7H3;4*1H;/q+2;;;;;+2/p-4


name: Diammonium 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] 2-sulphonatosuccinate
cas: 97158-33-3
dtxsid: DTXSID40914091
formula: C26H49NO9S
inchikey: DRMZRZWNBSJZGR-UHFFFAOYSA-N
norman_susdat_id: NS00065362
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)S(=O)(=O)[O-].[NH4+].[NH4+]
inchi:
InChI=1/C26H49NO9S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-26(32)23(22-25(30)31)37(33,34)35;;/h23,28H,2-22H2,1H3,(H,30,31)(H,33,34,35);2*1H3


name: 3-amino-4-(hexadecyloxy)-N-methylbenzenesulphonamide
cas: 97158-34-4
dtxsid: DTXSID50242731
formula: C23H42N2O3S
inchikey: YMTIFDKNEKBIGR-UHFFFAOYSA-N
norman_susdat_id: NS00065378
pubchem_cid: 3024759
smiles: O=S(=O)(NC)C1=CC=C(OCCCCCCCCCCCCCCCC)C(N)=C1
inchi:
InChI=1/C23H42N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-23-18-17-21(20-22(23)24)29(26,27)25-2/h17-18,20,25H,3-16,19,24H2,1-2H3


name: 3-amino-N-methyl-4-(octadecyloxy)benzenesulphonamide
cas: 97158-35-5
dtxsid: DTXSID10242732
formula: C25H46N2O3S
inchikey: UZSVPPCZPGPYKY-UHFFFAOYSA-N
norman_susdat_id: NS00065379
pubchem_cid: 3024760
smiles: O=S(=O)(NC)C1=CC=C(OCCCCCCCCCCCCCCCCCC)C(N)=C1
inchi:
InChI=1/C25H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-25-20-19-23(22-24(25)26)31(28,29)27-2/h19-20,22,27H,3-18,21,26H2,1-2H3


name: m-[4,5-dihydro-5-oxo-3-[4-[(1-oxohexadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid
cas: 97158-36-6
dtxsid: DTXSID70242733
formula: C31H43N3O5S
inchikey: UXCYZDBBKWJIJU-UHFFFAOYSA-N
norman_susdat_id: NS00065380
pubchem_cid: 3024761
smiles: O=C(NC=1C=CC(=CC1)C2=NN(C(=O)C2)C3=CC=CC(=C3)S(=O)(=O)O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C31H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(35)32-26-21-19-25(20-22-26)29-24-31(36)34(33-29)27-16-15-17-28(23-27)40(37,38)39/h15-17,19-23H,2-14,18,24H2,1H3,(H,32,35)(H,37,38,39)


name: 3-[4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid
cas: 97158-37-7
dtxsid: DTXSID30242734
formula: C33H47N3O5S
inchikey: COCBSNGTVHMNDB-UHFFFAOYSA-N
norman_susdat_id: NS00065841
pubchem_cid: 3024762
smiles: O=C(NC=1C=CC(=CC1)C2=NN(C(=O)C2)C3=CC=CC(=C3)S(=O)(=O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H47N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(37)34-28-23-21-27(22-24-28)31-26-33(38)36(35-31)29-18-17-19-30(25-29)42(39,40)41/h17-19,21-25H,2-16,20,26H2,1H3,(H,34,37)(H,39,40,41)


name: Sodium 1-cyclohexyl 4-(2-methylpropyl) sulphonatosuccinate
cas: 97158-41-3
dtxsid: DTXSID70914089
formula: C14H24O7S
inchikey: GABNUIIHUFPRRP-UHFFFAOYSA-M
norman_susdat_id: NS00066479
pubchem_cid: 3024766
smiles: [Na+].O=C(OCC(C)C)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H24O7S.Na/c1-10(2)9-20-13(15)8-12(22(17,18)19)14(16)21-11-6-4-3-5-7-11;/h10-12H,3-9H2,1-2H3,(H,17,18,19);/q;+1/p-1


cas: 97158-45-7
dtxsid: DTXSID10914088
formula: C20H24ClN3O3S
inchikey: WORIVDLKTGNAQV-UHFFFAOYSA-N
norman_susdat_id: NS00065842
pubchem_cid: 21149877
smiles: O=S(=O)([O-])C.O=S(=O)(C1=CC=C(Cl)C=C1)C2C(=NN(C=3C=CC=CC3)C2)OCCC[NH+](C)C
name:
3-[[4-[(4-chlorophenyl)sulphonyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]oxy]propyl(dimethyl)ammonium methanesulphonate

inchi:
InChI=1/C20H24ClN3O3S.CH4O3S/c1-23(2)13-6-14-27-20-19(15-24(22-20)17-7-4-3-5-8-17)28(25,26)18-11-9-16(21)10-12-18;1-5(2,3)4/h3-5,7-12,19H,6,13-15H2,1-2H3;1H3,(H,2,3,4)


name: Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate
cas: 97158-48-0
dtxsid: DTXSID10242737
formula: C25H48N2O3
inchikey: FSCRJUUIABKBCD-UHFFFAOYSA-M
norman_susdat_id: NS00065843
pubchem_cid: 3024770
smiles: [Na+].O=C([O-])CCOCCN1C(=NCC1)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1/C25H48N2O3.Na/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-26-18-19-27(24)20-22-30-21-17-25(28)29;/h23H,3-22H2,1-2H3,(H,28,29);/q;+1/p-1


name: Benzothiazole-2(3H)-thione, sodium salt, compound with 2,2',2''-nitrilotris[ethanol]
cas: 97158-50-4
formula: C7H5NS2.xC6H15NO3.Na
inchikey: YWJPYBZSWGNQMJ-UHFFFAOYSA-N
norman_susdat_id: NS00092939
smiles: [Na+].OCCN(CCO)CCO.S=C1Nc2ccccc2S1
inchi:
InChI=1/C7H5NS2.C6H15NO3.Na/c9-7-8-5-3-1-2-4-6(5)10-7;8-4-1-7(2-5-9)3-6-10;/h1-4H,(H,8,9);8-10H,1-6H2;/q;;+1


name: Camphoric acid, compound with (R)-N-ethyl-a-methyl-3-(trifluoromethyl)phenethylamine (1:1)
cas: 97158-53-7
formula: C12H16F3N.C10H16O4
inchikey: GBMYZGXLAHAFPC-SBSPUUFOSA-N
norman_susdat_id: NS00093275
smiles: CCN[C@H](C)Cc1cccc(c1)C(F)(F)F.CC2(C)C(CCC2(C)C(=O)O)C(=O)O
inchi:
InChI=1/C12H16F3N.C10H16O4/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h4-6,8-9,16H,3,7H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)


name: Perfluoroundecanoic acid calcium salt (2:1)
cas: 97163-17-2
dtxsid: DTXSID80897536
formula: C22CaF42O4
inchikey: FVLINAMCSIIXQX-UHFFFAOYSA-L
norman_susdat_id: NS00111869
inchi:
InChI=1S/2C11HF21O2.Ca/c2*12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32;/h2*(H,33,34);/q;;+2/p-2

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


cas: 97171-71-6
dtxsid: DTXSID80914075
formula: C42H66N6O15
inchikey: TVSYZWNHHXOLFE-UHFFFAOYSA-N
norman_susdat_id: NS00065400
pubchem_cid: 102058819
name:
Triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate]

inchi:
InChI=1/C42H66N6O15/c1-7-61-37(55)31(28(4)49)34(52)43-22-16-10-13-19-25-46-40(58)47(26-20-14-11-17-23-44-35(53)32(29(5)50)38(56)62-8-2)42(60)48(41(46)59)27-21-15-12-18-24-45-36(54)33(30(6)51)39(57)63-9-3/h31-33H,7-27H2,1-6H3,(H,43,52)(H,44,53)(H,45,54)

smiles:
O=C(OCC)C(C(=O)NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCNC(=O)C(C(=O)OCC)C(=O)C)CCCCCCNC(=O)C(C(=O)OCC)C(=O)C)C(=O)C


cas: 97171-73-8
formula: C49H64Cl3N7O7
inchikey: ZSZZBTFRBZAVHV-MTSCCGHGSA-N
norman_susdat_id: NS00065868
pubchem_cid: 102058617
name:
N-[3-[[[4,5-dihydro-4-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]carbonyl]phenyl]-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine

inchi:
InChI=1/C49H64Cl3N7O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-58(47(62)33(2)3)41(49(64)65)32-42(60)53-37-23-21-22-34(29-37)46(61)54-45-43(56-55-36-24-26-38(66-4)27-25-36)48(63)59(57-45)44-39(51)30-35(50)31-40(44)52/h21-27,29-31,33,41,43H,5-20,28,32H2,1-4H3,(H,53,60)(H,64,65)(H,54,57,61)

smiles:
O=C(O)C(N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC)CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2N=NC3=CC=C(OC)C=C3)C=4C(Cl)=CC(Cl)=CC4Cl


name: Disodium 1-phenyl-3-[[4-[(2-pyrimidinylamino)sulphonyl]phenyl]amino]propane-1,3-disulphonate
cas: 97171-75-0
dtxsid: DTXSID60914073
formula: C19H20N4O8S3
inchikey: CVEFAXSOHINGPV-UHFFFAOYSA-L
norman_susdat_id: NS00065869
pubchem_cid: 16206172
smiles: [Na+].[Na+].O=S(=O)([O-])C(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)CC(C=3C=CC=CC3)S(=O)(=O)[O-]
inchi:
InChI=1/C19H20N4O8S3.2Na/c24-32(25,23-19-20-11-4-12-21-19)16-9-7-15(8-10-16)22-18(34(29,30)31)13-17(33(26,27)28)14-5-2-1-3-6-14;;/h1-12,17-18,22H,13H2,(H,20,21,23)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


name: 1-benzyl-3-piperidyl methacrylate
cas: 97171-80-7
dtxsid: DTXSID80914070
formula: C16H21NO2
inchikey: AMTKJHWIWZRTEY-UHFFFAOYSA-N
norman_susdat_id: NS00066486
pubchem_cid: 16206174
smiles: O=C(OC1CN(CC=2C=CC=CC2)CCC1)C(=C)C
inchi:
InChI=1/C16H21NO2/c1-13(2)16(18)19-15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3


name: Diethylammonium 2-(4-chloro-2-methylphenoxy)propionate
cas: 97171-83-0
formula: C10H11ClO3.C4H11N
inchikey: YWWMOSBBXLVHSK-UHFFFAOYSA-N
norman_susdat_id: NS00092689
smiles: CC[NH2+]CC.CC(Oc1ccc(Cl)cc1C)C(=O)[O-]
inchi:
InChI=1/C10H11ClO3.C4H11N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-5-4-2/h3-5,7H,1-2H3,(H,12,13);5H,3-4H2,1-2H3


name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-, silicate
cas: 97171-85-2
formula: -
inchikey: ILFUUVCGOKGBSM-UHFFFAOYSA-N
norman_susdat_id: NS00093285
inchi:
InChI=1/2C24H22N2O3.O3Si/c2*1-3-25-15-9-11-19-21(13-15)29-22-14-16(26-4-2)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;1-4(2)3/h2*5-14,25-26H,3-4H2,1-2H3;/q;;-2/p+2

smiles:
CCNc1ccc2c(c3ccccc3C(=O)O)c4ccc(NCC)cc4[o+]c2c1.CCNc5ccc6c(c7ccccc7C(=O)O)c8ccc(NCC)cc8[o+]c6c5.[O-][Si](=O)[O-]


name: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, silicate
cas: 97171-86-3
formula: -
inchikey: NKRICLRORMFSIL-UHFFFAOYSA-N
norman_susdat_id: NS00093286
inchi:
InChI=1/2C28H31N2O3.O3Si/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-4(2)3/h2*9-16,29-30H,6-8H2,1-5H3;/q2*+1;-2

smiles:
CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.[O-][Si](=O)[O-]


name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, silicate
cas: 97192-00-2
formula: -
inchikey: KXDNORMPOUSIIB-UHFFFAOYSA-N
norman_susdat_id: NS00092964
inchi:
InChI=1/2C28H30N2O3.O3Si/c2*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-4(2)3/h2*9-18H,5-8H2,1-4H3;/q;;-2/p+2

smiles:
CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.[O-][Si](=O)[O-]


name: Diphenidol
cas: 972-02-1
chebiid: CHEBI:4638
chemspiderid: 2947
dtxsid: DTXSID3022950
formula: C21H27N1O1
inchikey: OGAKLTJNUQRZJU-UHFFFAOYSA-N
norman_susdat_id: NS00040512
pubchem_cid: 3055
smiles: OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2


name: 1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile
cas: 972-17-8
dtxsid: DTXSID30914060
formula: C20H23N3
inchikey: PZPLFWQZPIAMRU-UHFFFAOYSA-N
norman_susdat_id: NS00042509
pubchem_cid: 70415
smiles: N#CC1(NC=2C=CC=CC2C)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C20H23N3/c1-17-7-5-6-10-19(17)22-20(16-21)11-13-23(14-12-20)15-18-8-3-2-4-9-18/h2-10,22H,11-15H2,1H3


name: 1-benzyl-4-(m-toluidino)piperidine-4-carbonitrile
cas: 972-18-9
dtxsid: DTXSID90242770
formula: C20H23N3
inchikey: VRQNYTJDMMMAQU-UHFFFAOYSA-N
norman_susdat_id: NS00042510
pubchem_cid: 70416
smiles: N#CC1(NC2=CC=CC(=C2)C)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3


name: 1-benzyl-4-(p-toluidino)piperidine-4-carbonitrile
cas: 972-19-0
dtxsid: DTXSID50242771
formula: C20H23N3
inchikey: OIDUIUJRLUPBPH-UHFFFAOYSA-N
norman_susdat_id: NS00042986
pubchem_cid: 70417
smiles: N#CC1(NC2=CC=C(C=C2)C)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C20H23N3/c1-17-7-9-19(10-8-17)22-20(16-21)11-13-23(14-12-20)15-18-5-3-2-4-6-18/h2-10,22H,11-15H2,1H3


name: 1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile
cas: 972-20-3
dtxsid: DTXSID10242772
formula: C19H20ClN3
inchikey: VVMOFVNFPBAHLP-UHFFFAOYSA-N
norman_susdat_id: NS00042112
pubchem_cid: 70418
smiles: N#CC1(NC2=CC=C(Cl)C=C2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H20ClN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2


cas: 97220-62-7
dtxsid: DTXSID50896435
formula: C17H5F17O5
inchikey: LDLRRXSIVVBDSG-UHFFFAOYSA-N
norman_susdat_id: NS00110794
smiles: OC(=O)c1cc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc(c1)C(O)=O
name:
5-{[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzene-1,3-dicarboxylic acid

inchi:
InChI=1S/C17H5F17O5/c18-11(14(23,24)25,15(26,27)28)7(12(19,16(29,30)31)17(32,33)34)8(13(20,21)22)39-6-2-4(9(35)36)1-5(3-6)10(37)38/h1-3H,(H,35,36)(H,37,38)


name: 2-chlorobenzoic acid, undecyl ester
cas: 97221-96-0
dtxsid: DTXSID90880878
formula: C18H27ClO2
inchikey: LZZUEDTUAJZZBG-UHFFFAOYSA-N
norman_susdat_id: NS00095933
smiles: CCCCCCCCCCCOC(=O)c1ccccc1Cl
inchi:
InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3


cas: 97232-75-2
formula: C17H23NO.C8H8O3
inchikey: RIPYWWDTVSFQJZ-LMOVPXPDSA-N
norman_susdat_id: NS00093288
smiles: COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1.OCC(=O)O
name:
(R)-glycolic acid, compound with (S)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)

inchi:
InChI=1/C17H23NO.C2H4O3/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;3-1-2(4)5/h6-9,17-18H,2-5,10-12H2,1H3;3H,1H2,(H,4,5)


name: Zirconium(2+) bis[2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)-3,4,5,6-tetrachlorobenzoate]
cas: 97235-50-2
dtxsid: DTXSID20242804
formula: C20H6Br4Cl4O5
inchikey: DZDXJOBGMZGIDY-UHFFFAOYSA-L
norman_susdat_id: NS00066497
pubchem_cid: 44149040
inchi:
InChI=1/2C20H6Br4Cl4O5.Zr/c2*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;/h2*1-2,7,29-30H,(H,31,32);/q;;+2/p-2

smiles:
[Zr+2].O=C([O-])C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C2C3=CC(Br)=C(O)C(Br)=C3OC4=C(Br)C(O)=C(Br)C=C42.O=C([O-])C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C2C3=CC(Br)=C(O)C(Br)=C3OC4=C(Br)C(O)=C(Br)C=C42


