# cl_id

name: Disodium 4-(octadecenyl) 2-sulphonatosuccinate
cas: 94021-02-0
formula: C22H40O7S
inchikey: AKADZXWYGJBHLS-UHFFFAOYSA-L
norman_susdat_id: NS00064545
pubchem_cid: 57356399
smiles: [Na+].[Na+].O=C(OC=CCCCCCCCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C22H40O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h17-18,20H,2-16,19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2


name: Sodium dioctadecenyl sulphonatosuccinate
cas: 94021-03-1
formula: C40H74O7S
inchikey: UFPWLPQCVYQTAJ-UHFFFAOYSA-M
norman_susdat_id: NS00064546
pubchem_cid: 53438051
smiles: [Na+].O=C(OC=CCCCCCCCCCCCCCCCC)CC(C(=O)OC=CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C40H74O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-39(41)37-38(48(43,44)45)40(42)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-36,38H,3-32,37H2,1-2H3,(H,43,44,45);/q;+1/p-1


name: Dialuminium tris[6-hydroxy-5-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate]
cas: 94021-05-3
formula: C16H12N2O7S2.2/3Al
inchikey: BLEBHQBQMOMRGF-UHFFFAOYSA-H
norman_susdat_id: NS00092153
inchi:
InChI=1/3C16H12N2O7S2.2Al/c3*19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h3*1-9,19H,(H,20,21,22)(H,23,24,25);;/q;;;2*+3/p-6

smiles:
[Al+3].[Al+3].[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O.[O-]S(=O)(=O)c1cccc(c1)N=Nc2c3ccc(cc3ccc2O)S([O-])(=O)=O


cas: 94021-06-4
formula: C28H21Cl2N5O9S2.2Na
inchikey: GFJJJEAJJKHNRO-UHFFFAOYSA-L
norman_susdat_id: NS00092215
name:
Disodium 1-amino-4-[3-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2,4,6-trimethyl-5-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

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

smiles:
[Na+].[Na+].Cc1c(NC(=O)c2cc(Cl)nnc2Cl)c(C)c(c(C)c1Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 94021-07-5
dtxsid: DTXSID60240228
formula: C26H17Cl2N5O9S2
inchikey: KJEMTYTWBBEVOC-UHFFFAOYSA-L
norman_susdat_id: NS00064547
pubchem_cid: 3085749
name:
Disodium 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C26H17Cl2N5O9S2.2Na/c1-10-15(6-11(43(37,38)39)7-16(10)31-26(36)14-8-19(27)32-33-25(14)28)30-17-9-18(44(40,41)42)22(29)21-20(17)23(34)12-4-2-3-5-13(12)24(21)35;;/h2-9,30H,29H2,1H3,(H,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=C(C=C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C1C)S(=O)(=O)[O-])C5=CC(Cl)=NN=C5Cl


cas: 94021-08-6
formula: C27H28Cl3N9O13S4
inchikey: ISAIBYTZDHYGLX-UHFFFAOYSA-K
norman_susdat_id: NS00065715
pubchem_cid: 11971234
name:
Trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C27H28Cl3N9O13S4.3Na/c28-7-11-53(43,44)13-9-38(10-14-54(45,46)12-8-29)27-33-25(30)32-26(34-27)31-16-5-6-18(20(15-16)56(50,51)52)39-23(40)21(22(37-39)24(41)42)36-35-17-3-1-2-4-19(17)55(47,48)49;;;/h1-6,15,21H,7-14H2,(H,41,42)(H,47,48,49)(H,50,51,52)(H,31,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC=2C=CC=CC2S(=O)(=O)[O-])C3=CC=C(C=C3S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl


cas: 94021-09-7
formula: C22H15Cl2N7O10S2.3Na
inchikey: HYBWAGNQHLFFAQ-UHFFFAOYSA-K
norman_susdat_id: NS00092216
name:
Trisodium 1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate

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

smiles:
[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc2cc(c(C)c(c2)N4/N=C(\C(N=Nc3ccccc3S([O-])(=O)=O)C4=O)C([O-])=O)S([O-])(=O)=O


cas: 94021-10-0
formula: C28H30Cl3N9O13S4
inchikey: OLBBDIXXVROMAA-UHFFFAOYSA-K
norman_susdat_id: NS00065716
pubchem_cid: 11971236
name:
Trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C28H30Cl3N9O13S4.3Na/c1-16-19(40-24(41)22(23(38-40)25(42)43)37-36-18-4-2-3-5-20(18)56(48,49)50)14-17(15-21(16)57(51,52)53)32-27-33-26(31)34-28(35-27)39(8-12-54(44,45)10-6-29)9-13-55(46,47)11-7-30;;;/h2-5,14-15,22H,6-13H2,1H3,(H,42,43)(H,48,49,50)(H,51,52,53)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC=2C=CC=CC2S(=O)(=O)[O-])C3=CC(=CC(=C3C)S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl


cas: 94021-11-1
formula: C21H13Cl2N7O10S2.3Na
inchikey: FTOCPJRXQWSUBX-UHFFFAOYSA-K
norman_susdat_id: NS00092426
name:
Trisodium 4-[[4-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

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

smiles:
[Na+].[Na+].[Na+].Clc1cc(c(Cl)nn1)C(=O)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O


name: 4,4'-Thiobis(6-tert-butyl-2,3-xylenol)
cas: 94021-13-3
chemspiderid: 57494961
dtxsid: DTXSID20240229
formula: C24H34O2S1
inchikey: RLBFJDVQZTVRMU-UHFFFAOYSA-N
norman_susdat_id: NS00039890
pubchem_cid: 44150708
smiles: Cc1c(Sc2c(C)c(C)c(O)c(c2)C(C)(C)C)cc(c(O)c1C)C(C)(C)C
inchi:
InChI=1S/C24H34O2S/c1-13-15(3)21(25)17(23(5,6)7)11-19(13)27-20-12-18(24(8,9)10)22(26)16(4)14(20)2/h11-12,25-26H,1-10H3


name: 2,2'-Methylenebis(4-tert-butyl-3,6-xylenol)
cas: 94021-14-4
chemspiderid: 26515259
dtxsid: DTXSID30240230
formula: C25H36O2
inchikey: DJSBWVGTMWCHHL-UHFFFAOYSA-N
norman_susdat_id: NS00039891
pubchem_cid: 44149281
smiles: Cc1cc(c(C)c(Cc2c(O)c(C)cc(c2C)C(C)(C)C)c1O)C(C)(C)C
inchi:
InChI=1S/C25H36O2/c1-14-11-20(24(5,6)7)16(3)18(22(14)26)13-19-17(4)21(25(8,9)10)12-15(2)23(19)27/h11-12,26-27H,13H2,1-10H3


cas: 94021-16-6
formula: C37H32Cl2N12O14S4
inchikey: BUXJVBRIWXHBFM-UHFFFAOYSA-N
norman_susdat_id: NS00064554
pubchem_cid: 168377
name:
1,4-Benzenedisulfonic acid, 2-[[4-[[2-[[4-[[3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1/C37H32Cl2N12O14S4/c1-14-27(43-21-13-23(68(60,61)62)26(40)25-24(21)29(52)18-6-4-5-7-19(18)30(25)53)15(2)31(69(63,64)65)16(3)28(14)45-37-49-33(39)47-35(51-37)42-11-10-41-34-46-32(38)48-36(50-34)44-20-12-17(66(54,55)56)8-9-22(20)67(57,58)59/h4-9,12-13,43H,10-11,40H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,41,44,46,48,50)(H2,42,45,47,49,51)

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC5=NC(Cl)=NC(=N5)NCCNC=6N=C(Cl)N=C(N6)NC7=CC(=CC=C7S(=O)(=O)O)S(=O)(=O)O)=C(C(=C4C)S(=O)(=O)O)C)C)=C13)S(=O)(=O)O


cas: 94021-17-7
chemspiderid: 143293
dtxsid: DTXSID90240231
formula: C27H20Cl2N8O9S3
inchikey: YYMOTGDYOPIKIR-XGMUGIETSA-N
norman_susdat_id: NS00039892
pubchem_cid: NA
smiles: Cc1cc(N=Nc2c(ccc(c2)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(Cl)n2)c2c(cccc12)S(=O)(=O)O
name:
2-((4-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-5-sulpho-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonic acid

inchi:
InChI=1S/C27H20Cl2N8O9S3/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33)/b35-34+,37-36-


name: 3,3'-((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(trimethylpropylammonium) dihydroxide
cas: 94021-18-8
chemspiderid: 57523540
dtxsid: DTXSID50240232
formula: C26H37N4O2
inchikey: HHFYZNZYDFPOJY-UHFFFAOYSA-N
norman_susdat_id: NS00039893
pubchem_cid: 44149423
smiles: [OH-].[OH-].C[N+](C)(C)CCCNC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NCCC[N+](C)(C)C)C=C1
inchi:
InChI=1S/C26H36N4O2/c1-29(2,3)17-9-15-27-21-13-14-22(28-16-10-18-30(4,5)6)24-23(21)25(31)19-11-7-8-12-20(19)26(24)32/h7-8,11-14H,9-10,15-18H2,1-6H3/p+2


cas: 94021-19-9
chemspiderid: 21166457
dtxsid: DTXSID10240233
formula: C36H18Cl6N12O14S4
inchikey: QCKRQIKZNLKKBX-UHFFFAOYSA-N
norman_susdat_id: NS00039894
pubchem_cid: 56841440
name:
6,13-Dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1S/C36H18Cl6N12O14S4/c37-22-24-29(68-27-16(47-24)5-6-17(30(27)72(64,65)66)46-15-4-2-12(9-20(15)70(58,59)60)45-36-53-33(41)50-34(42)54-36)23(38)25-28(22)67-26-18(48-25)7-13(10-21(26)71(61,62)63)43-14-3-1-11(8-19(14)69(55,56)57)44-35-51-31(39)49-32(40)52-35/h1-10,43,46H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,44,49,51,52)(H,45,50,53,54)

smiles:
OS(=O)(=O)C1=CC(NC2=C(C=C(NC3=NC(Cl)=NC(Cl)=N3)C=C2)S(O)(=O)=O)=CC2=C1OC1=C(Cl)C3=NC4=C(OC3=C(Cl)C1=N2)C(=C(NC1=C(C=C(NC2=NC(Cl)=NC(Cl)=N2)C=C1)S(O)(=O)=O)C=C4)S(O)(=O)=O


name: Tetrasodium dihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 94021-23-5
formula: C3H12NO9P3.4Na
inchikey: CXKLLWYSNDLIRU-UHFFFAOYSA-H
norman_susdat_id: NS00092220
smiles: [Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.4Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-6


name: Tripotassium trihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 94021-24-6
formula: C3H12NO9P3.3K
inchikey: CQDMQNNPEXOLIR-UHFFFAOYSA-H
norman_susdat_id: NS00092866
smiles: [K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.3K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-6


name: Tetrapotassium dihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 94021-25-7
formula: C3H12NO9P3.4K
inchikey: HOORPDSJMPHUST-UHFFFAOYSA-H
norman_susdat_id: NS00092428
smiles: [K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.4K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-6


name: Pentapotassium hydrogen [nitrilotris(methylene)]trisphosphonate
cas: 94021-26-8
formula: C3H12NO9P3.5K
inchikey: XULKYUDWHAHGLR-UHFFFAOYSA-H
norman_susdat_id: NS00092879
smiles: [K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.5K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-6


name: Tetraammonium dihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 94021-27-9
formula: C3H12NO9P3.4H3N
inchikey: DYAGPABPDGVONC-UHFFFAOYSA-L
norman_susdat_id: NS00092880
smiles: [NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.4H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);4*1H3/p-2


name: Hexaammonium [nitrilotris(methylene)]trisphosphonate
cas: 94021-28-0
formula: C3H12NO9P3.6H3N
inchikey: FUYQFCQZVFXZBQ-UHFFFAOYSA-N
norman_susdat_id: NS00092429
smiles: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.6H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);6*1H3


name: Potassium 3-[[5-(tert-butyl)-2-hydroxyphenyl]azo]-2-hydroxy-5-nitrobenzenesulphonate
cas: 94021-30-4
formula: C16H17N3O7S.K
inchikey: LBHNHGYIFIYLOQ-UHFFFAOYSA-M
norman_susdat_id: NS00092154
smiles: [K+].Oc2c(cc(cc2N=Nc1cc(ccc1O)C(C)(C)C)[N+]([O-])=O)S([O-])(=O)=O
inchi:
InChI=1/C16H17N3O7S.K/c1-16(2,3)9-4-5-13(20)11(6-9)17-18-12-7-10(19(22)23)8-14(15(12)21)27(24,25)26;/h4-8,20-21H,1-3H3,(H,24,25,26);/q;+1/p-1


name: 2-[(3,5-diaminophenyl)azo]-4-[(2,4-diaminophenyl)azo]anisole
cas: 94021-31-5
formula: C19H20N8O
inchikey: NILXYKBVKQHIOD-UHFFFAOYSA-N
norman_susdat_id: NS00064427
pubchem_cid: 3023267
smiles: N(=NC1=CC=C(N)C=C1N)C2=CC=C(OC)C(N=NC=3C=C(N)C=C(N)C3)=C2
inchi:
InChI=1/C19H20N8O/c1-28-19-5-3-14(24-26-17-4-2-11(20)9-16(17)23)10-18(19)27-25-15-7-12(21)6-13(22)8-15/h2-10H,20-23H2,1H3


cas: 94021-32-6
formula: C38H27N9O10S.2Na
inchikey: ZKSLZRXADQNBEP-UHFFFAOYSA-L
norman_susdat_id: NS00092452
name:
Disodium 5-[[4-[[[4-[[2,4-dihydroxy-5-[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C38H27N9O10S.2Na/c48-33-14-12-26(17-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-31-19-32(36(51)20-35(31)50)47-46-30-18-27(13-15-34(30)49)44-42-25-2-1-3-28(16-25)58(55,56)57;;/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc3cc(O)c(cc3N=Nc2cc(N=Nc1cccc(c1)S([O-])(=O)=O)ccc2O)N=Nc6ccc(NC(=O)c5ccc(N=Nc4cc(C([O-])=O)c(O)cc4)cc5)cc6


cas: 94021-33-7
formula: C38H27N9O10S
inchikey: SSNDPDUSNMRTPG-UHFFFAOYSA-N
norman_susdat_id: NS00064450
pubchem_cid: NA
name:
5-[[4-[[[4-[[2,4-dihydroxy-5-[[2-hydroxy-5-[(3-sulphophenyl)azo]phenyl]azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

inchi:
InChI=1/C38H27N9O10S/c48-33-14-12-26(17-29(33)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-31-19-32(36(51)20-35(31)50)47-46-30-18-27(13-15-34(30)49)44-42-25-2-1-3-28(16-25)58(55,56)57/h1-20,48-51H,(H,39,52)(H,53,54)(H,55,56,57)

smiles:
O=C(O)C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC=4C=C(N=NC5=CC(N=NC6=CC=CC(=C6)S(=O)(=O)O)=CC=C5O)C(O)=CC4O)C=C3)=CC=C1O


cas: 94021-34-8
formula: C40H31N11O18S4
inchikey: ONKAQVKGLACWNT-UHFFFAOYSA-N
norman_susdat_id: NS00064583
pubchem_cid: 16132041
name:
5-[[2-amino-4-hydroxy-5-[[4-[(4-nitro-2-sulphophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[[4-[(4-nitro-2-sulphophenyl)amino]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C40H29N11O18S4/c41-28-18-34(52)32(47-44-23-5-1-21(2-6-23)42-29-11-9-25(50(54)55)15-35(29)71(61,62)63)19-31(28)46-48-33-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)33)49-45-24-7-3-22(4-8-24)43-30-12-10-26(51(56)57)16-36(30)72(64,65)66/h1-19,42-43,52-53H,41H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)

smiles:
O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=C(N=NC4=CC(=CC5=CC(=C(N=NC6=CC=C(C=C6)NC7=CC=C(C=C7S(=O)(=O)O)[N+](=O)[O-])C(O)=C45)S(=O)(=O)O)S(=O)(=O)O)C(N)=CC3O)C=C2)C(=C1)S(=O)(=O)O


name: Dipotassium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate
cas: 94021-37-1
formula: C16H12N2O7S2.2K
inchikey: FEWCGGQNYOULMR-UHFFFAOYSA-L
norman_susdat_id: NS00092890
smiles: [K+].[K+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O
inchi:
InChI=1/C16H12N2O7S2.2K/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


cas: 94021-38-2
formula: C22H15Cl3N4O5S
inchikey: KBKLKHJKTXJHPE-UHFFFAOYSA-N
norman_susdat_id: NS00092891
smiles: Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O
name:
4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C22H15Cl3N4O5S/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25/h2-11,21H,1H3,(H,31,32,33)


cas: 94021-47-3
formula: C56H50N8O20S2
inchikey: YCNADHYKWLHUMH-UHFFFAOYSA-N
norman_susdat_id: NS00092169
name:
2,2'-[[4,4'-bis[[1-hydroxy-6-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-3-sulpho-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]bis(acetic) acid

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

smiles:
COCCOC(=O)Nc1ccc(cc1)Nc7cc8cc(c(N=Nc2ccc(cc2OCC(O)=O)c3cc(OCC(O)=O)c(cc3)N=Nc6c(cc5cc(Nc4ccc(NC(=O)OCCOC)cc4)ccc5c6O)S(O)(=O)=O)c(O)c8cc7)S(O)(=O)=O


name: 5-oxo-L-proline, compound with 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide (2:1)
cas: 94021-72-4
formula: C14H22ClN3O2.2C5H7NO3
inchikey: FYAHTHOQPKDGPL-YHUPNWGDSA-N
norman_susdat_id: NS00092237
smiles: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.OC(=O)[C@@H]2CCC(=O)N2.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C14H22ClN3O2.2C5H7NO3/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;2*7-4-2-1-3(6-4)5(8)9/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*3H,1-2H2,(H,6,7)(H,8,9)


name: [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide
cas: 94021-75-7
formula: C27H33N2.HO
inchikey: VKIIBBWZXCYECI-UHFFFAOYSA-M
norman_susdat_id: NS00091799
smiles: [OH-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3
inchi:
InChI=1/C27H33N2.H2O/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;/h9-21H,5-8H2,1-4H3;1H2/q+1;/p-1


name: Dodecyl 4-chloro-3,5-dinitrobenzoate
cas: 94021-87-1
chemspiderid: 2289542
dtxsid: DTXSID30240250
formula: C19H27Cl1N2O6
inchikey: NKXANKOKHSNAJJ-UHFFFAOYSA-N
norman_susdat_id: NS00039901
pubchem_cid: 3023288
smiles: CCCCCCCCCCCCOC(=O)c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C19H27ClN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-28-19(23)15-13-16(21(24)25)18(20)17(14-15)22(26)27/h13-14H,2-12H2,1H3


name: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate
cas: 94022-06-7
dtxsid: DTXSID20869176
formula: C18H24O2
inchikey: OVTUPLGIFCUERT-UHFFFAOYSA-N
norman_susdat_id: NS00064268
pubchem_cid: 3656473
smiles: O=C(OC1CC2CCC1(C)C2(C)C)CC=3C=CC=CC3
inchi:
InChI=1/C18H24O2/c1-17(2)14-9-10-18(17,3)15(12-14)20-16(19)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3


name: 2-(2-(Nonylphenoxy)ethoxy)ethyl palmitate
cas: 94022-11-4
chemspiderid: 2289550
dtxsid: DTXSID80240260
formula: C35H62O4
inchikey: KBZILBKIQHLSTK-UHFFFAOYSA-N
norman_susdat_id: NS00039906
pubchem_cid: 3023297
smiles: CCCCCCCCCCCCCCCC(=O)OCCOCCOC1=CC=CC=C1CCCCCCCCC
inchi:
InChI=1S/C35H62O4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-28-35(36)39-32-30-37-29-31-38-34-27-24-23-26-33(34)25-21-19-17-10-8-6-4-2/h23-24,26-27H,3-22,25,28-32H2,1-2H3


name: 2-[2-(nonylphenoxy)ethoxy]ethyl docosanoate
cas: 94022-12-5
dtxsid: DTXSID40240261
formula: C41H74O4
inchikey: PLIFBJHLLUOJTD-UHFFFAOYSA-N
norman_susdat_id: NS00065103
pubchem_cid: 3023298
smiles: O=C(OCCOCCOC=1C=CC=CC1CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H74O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-34-41(42)45-38-36-43-35-37-44-40-33-30-29-32-39(40)31-27-25-23-10-8-6-4-2/h29-30,32-33H,3-28,31,34-38H2,1-2H3


name: 2-[2-(nonylphenoxy)ethoxy]ethyl oleate
cas: 94022-13-6
formula: C37H64O4
inchikey: NFQWKIBNXQKIOA-PFONDFGASA-N
norman_susdat_id: NS00063784
pubchem_cid: 6433022
smiles: O=C(OCCOCCOC=1C=CC=CC1CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C37H64O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-30-37(38)41-34-32-39-31-33-40-36-29-26-25-28-35(36)27-23-21-19-10-8-6-4-2/h14-15,25-26,28-29H,3-13,16-24,27,30-34H2,1-2H3


name: N-(2-aminoethyl)-N'-[2-(4,5-dihydro-2-nonadecyl-1H-imidazol-1-yl)ethyl]ethylenediamine
cas: 94022-15-8
dtxsid: DTXSID60240263
formula: C28H59N5
inchikey: GSHYFPMSHMDOAH-UHFFFAOYSA-N
norman_susdat_id: NS00065104
pubchem_cid: 3023300
smiles: N1=C(N(CC1)CCNCCNCCN)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H59N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-32-25-27-33(28)26-24-31-23-22-30-21-20-29/h30-31H,2-27,29H2,1H3


name: N-(2-aminoethyl)-N'-[2-[2-(13-henicosenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
cas: 94022-16-9
formula: C30H61N5
inchikey: AKWSSIYVRWKIEF-UHFFFAOYSA-N
norman_susdat_id: NS00063885
pubchem_cid: 3023301
smiles: N1=C(N(CC1)CCNCCNCCN)CCCCCCCCCCCCC=CCCCCCCC
inchi:
InChI=1/C30H61N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-34-27-29-35(30)28-26-33-25-24-32-23-22-31/h8-9,32-33H,2-7,10-29,31H2,1H3


name: N-[2-[2-(13-henicosen-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
cas: 94022-17-0
formula: C28H56N4
inchikey: FHSANRAQFHKSOJ-UHFFFAOYSA-N
norman_susdat_id: NS00063785
pubchem_cid: 3023302
smiles: N1=C(N(CC1)CCNCCN)CCCCCCCCCCCCC=CCCCCCCC
inchi:
InChI=1/C28H56N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-31-25-27-32(28)26-24-30-23-22-29/h8-9,30H,2-7,10-27,29H2,1H3


name: 2,4-Dicyclopentyl-6-isopropyl-m-cresol
cas: 94022-20-5
chemspiderid: 2289555
dtxsid: DTXSID20240264
formula: C20H30O1
inchikey: VOPQGBODWYLZQY-UHFFFAOYSA-N
norman_susdat_id: NS00039907
pubchem_cid: 3023305
smiles: CC(C)c1cc(C2CCCC2)c(C)c(C2CCCC2)c1O
inchi:
InChI=1S/C20H30O/c1-13(2)17-12-18(15-8-4-5-9-15)14(3)19(20(17)21)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3


name: 2,6-Dicyclopentyl-5-isopropyl-m-cresol
cas: 94022-23-8
chemspiderid: 2289557
dtxsid: DTXSID00240267
formula: C20H30O1
inchikey: QNMJHIXIZILZPT-UHFFFAOYSA-N
norman_susdat_id: NS00039910
pubchem_cid: 3023308
smiles: CC(C)c1c(C2CCCC2)c(O)c(C2CCCC2)c(C)c1
inchi:
InChI=1S/C20H30O/c1-13(2)17-12-14(3)18(15-8-4-5-9-15)20(21)19(17)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3


name: 4-Amino-N-(4-(2,4-bis(1,1-dimethylethyl)phenoxy)butyl)-1-hydroxynaphthalene-2-carboxamide
cas: 94022-25-0
chemspiderid: 2289558
dtxsid: DTXSID20240269
formula: C29H38N2O3
inchikey: QPKGVCZMJWKEHI-UHFFFAOYSA-N
norman_susdat_id: NS00039911
pubchem_cid: 3023309
smiles: CC(C)(C)c1cc(c(OCCCCNC(=O)c2c(O)c3ccccc3c(N)c2)cc1)C(C)(C)C
inchi:
InChI=1S/C29H38N2O3/c1-28(2,3)19-13-14-25(23(17-19)29(4,5)6)34-16-10-9-15-31-27(33)22-18-24(30)20-11-7-8-12-21(20)26(22)32/h7-8,11-14,17-18,32H,9-10,15-16,30H2,1-6H3,(H,31,33)


name: N-[2-(4,5-dihydro-2-nonadecyl-1H-imidazol-1-yl)ethyl]ethylenediamine
cas: 94022-27-2
dtxsid: DTXSID90240271
formula: C26H54N4
inchikey: XYKKUHABBPVOLJ-UHFFFAOYSA-N
norman_susdat_id: NS00064097
pubchem_cid: 3023310
smiles: N1=C(N(CC1)CCNCCN)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H54N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-23-25-30(26)24-22-28-21-20-27/h28H,2-25,27H2,1H3


name: 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazolesulphonic acid
cas: 94022-28-3
formula: C24H22N4O5S2
inchikey: CREIBZAGQFNQDZ-UHFFFAOYSA-N
norman_susdat_id: NS00065264
pubchem_cid: 21149772
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(C=C2)C3(SC4=CC(=CC=C4N3)C)S(=O)(=O)O)C(=O)C
inchi:
InChI=1/C24H22N4O5S2/c1-15-8-13-20-21(14-15)34-24(26-20,35(31,32)33)17-9-11-19(12-10-17)27-28-22(16(2)29)23(30)25-18-6-4-3-5-7-18/h3-14,22,26H,1-2H3,(H,25,30)(H,31,32,33)


name: Sodium 6-methyl-2-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]benzothiazolesulphonate
cas: 94022-29-4
formula: C24H20N4O5S2.Na
inchikey: STQVRYQIEOEIRM-UHFFFAOYSA-M
norman_susdat_id: NS00092593
smiles: [Na+].CC(=O)C(N=Nc1ccc(cc1)C2(Nc3ccc(C)cc3S2)S([O-])(=O)=O)C(=O)Nc4ccccc4
inchi:
InChI=1/C24H22N4O5S2.Na/c1-15-8-13-20-21(14-15)34-24(26-20,35(31,32)33)17-9-11-19(12-10-17)27-28-22(16(2)29)23(30)25-18-6-4-3-5-7-18;/h3-14,22,26H,1-2H3,(H,25,30)(H,31,32,33);/q;+1/p-1


cas: 94022-36-3
formula: C38H28N6O16S4
inchikey: JIXKWIFUWFYHEF-UHFFFAOYSA-N
norman_susdat_id: NS00063966
pubchem_cid: 3023314
name:
4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxy-4-sulphophenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulpho-2-naphthyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C38H28N6O16S4/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/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)

smiles:
O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)NC=5C=CC6=C(O)C(N=NC7=CC=C(C=C7OC)S(=O)(=O)O)=C(C=C6C5)S(=O)(=O)O


cas: 94022-37-4
formula: C38H28N6O16S4.xC6H15NO3.xNa
inchikey: WRENUUDGESXFCI-UHFFFAOYSA-M
norman_susdat_id: NS00092607
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]-, sodium salt, compd. with 2,2',2''-nitrilotris[ethanol]

inchi:
InChI=1/C38H28N6O16S4.C6H15NO3.Na/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;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);8-10H,1-6H2;/q;;+1/p-1

smiles:
[Na+].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


cas: 94022-39-6
formula: C36H31N9O10S3
inchikey: FGTIKKJKFSWHRW-UHFFFAOYSA-N
norman_susdat_id: NS00092608
name:
4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C36H31N9O10S3/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)

smiles:
Nc6ccc(N=Nc1ccc(cc1C)c5ccc(N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(C)c5)c(N)c6


cas: 94022-40-9
formula: C36H29N7O12S3
inchikey: YFOGNRPIBSQHTC-UHFFFAOYSA-N
norman_susdat_id: NS00092179
name:
4-amino-3-[[4'-[(2,4-dihydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

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

smiles:
Oc6cc(O)ccc6N=Nc1ccc(cc1C)c5ccc(N=Nc4c(cc3cc(c(N=Nc2ccc(cc2)S(O)(=O)=O)c(O)c3c4N)S(O)(=O)=O)S(O)(=O)=O)c(C)c5


cas: 94022-43-2
formula: C31H25N5O7S
inchikey: BSRHQNUCTUCPQX-UHFFFAOYSA-N
norman_susdat_id: NS00064468
pubchem_cid: 136086307
smiles: O=C(O)C1=CC(N=NC2=CC=C(C=C2C)C3=CC=C(N=NC4=C(N)C=CC5=CC(=CC(O)=C54)S(=O)(=O)O)C(=C3)C)=CC=C1O
name:
5-[[4'-[(2-amino-8-hydroxy-6-sulphonaphthalen-1-yl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylic acid

inchi:
InChI=1/C31H25N5O7S/c1-16-11-18(4-8-25(16)34-33-21-6-10-27(37)23(14-21)31(39)40)19-5-9-26(17(2)12-19)35-36-30-24(32)7-3-20-13-22(44(41,42)43)15-28(38)29(20)30/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43)


cas: 94022-46-5
dtxsid: DTXSID70240274
formula: C22H21ClN3O2
inchikey: SPJCLDHWTZYCKS-UHFFFAOYSA-K
norman_susdat_id: NS00065279
pubchem_cid: 44146166
smiles: [Cl-].[Cl-].[Cl-].[Sn+4].N#[N+]C=1C=C(OCCO)C(=CC1Cl)N(CC=2C=CC=CC2)CC=3C=CC=CC3
name:
2-chloro-4-(dibenzylamino)-5-(2-hydroxyethoxy)benzenediazonium chloride, compound with tin dichloride

inchi:
InChI=1/C22H21ClN3O2.3ClH.Sn/c23-19-13-21(22(28-12-11-27)14-20(19)25-24)26(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;;;;/h1-10,13-14,27H,11-12,15-16H2;3*1H;/q+1;;;;+4/p-3


name: 3-chloro-4-(dibutylamino)benzenediazonium trichlorozincate
cas: 94022-54-5
formula: C14H21ClN3.Cl3Zn
inchikey: KYRCKTSELNEPKH-UHFFFAOYSA-K
norman_susdat_id: NS00092610
smiles: CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C14H21ClN3.3ClH.Zn/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;/h7-8,11H,3-6,9-10H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC14H21ClN3.Cl3Zn/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-4(2)3/h7-8,11H,3-6,9-10H2,1-2H3;/q+1;-1


name: (Z)-N-[[3-(aminomethyl)phenyl]methyl]-3-(9-octadecenylamino)propionamide
cas: 94022-57-8
dtxsid: DTXSID30888732
formula: C29H51N3O
inchikey: KWSZBVNWSUIJKL-KTKRTIGZSA-N
norman_susdat_id: NS00065280
pubchem_cid: 6442066
smiles: O=C(NCC=1C=CC=C(C1)CN)CCNCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C29H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-23-21-29(33)32-26-28-20-18-19-27(24-28)25-30/h9-10,18-20,24,31H,2-8,11-17,21-23,25-26,30H2,1H3,(H,32,33)


name: 1-(1-Cyclohexen-1-yl)-5,5-diethylbarbituric acid
cas: 94022-59-0
chemspiderid: 2289564
dtxsid: DTXSID70240279
formula: C14H20N2O3
inchikey: JFISKEILZAUDSN-UHFFFAOYSA-N
norman_susdat_id: NS00039916
pubchem_cid: 3023317
smiles: CCC1(CC)C(=O)NC(=O)N(C2=CCCCC2)C1=O
inchi:
InChI=1S/C14H20N2O3/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)


cas: 94022-68-1
formula: C44H30Cl2N14O17S5
inchikey: DAEROLLVXIFFNX-UHFFFAOYSA-N
norman_susdat_id: NS00065299
pubchem_cid: NA
name:
4,4'-[(4-sulpho-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic] acid

inchi:
InChI=1/C44H30Cl2N14O17S5/c45-39-51-41(55-43(53-39)49-28-18-25(78(63,64)65)13-20-15-31(81(72,73)74)35(37(61)33(20)28)59-57-22-7-3-1-4-8-22)47-24-11-12-30(80(69,70)71)27(17-24)48-42-52-40(46)54-44(56-42)50-29-19-26(79(66,67)68)14-21-16-32(82(75,76)77)36(38(62)34(21)29)60-58-23-9-5-2-6-10-23/h1-19,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,47,49,51,53,55)(H2,48,50,52,54,56)

smiles:
O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C(=C5)NC6=NC(Cl)=NC(=N6)NC7=CC(=CC=8C=C(C(N=NC=9C=CC=CC9)=C(O)C87)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O


cas: 94022-69-2
chemspiderid: 57523545
dtxsid: DTXSID40240281
formula: C60H40Cl2N14O23S8
inchikey: OWSIQCLPCGXETQ-SKBPJZKVSA-N
norman_susdat_id: NS00021399
pubchem_cid: NA
name:
4,4'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((1-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonic) acid

inchi:
InChI=1S/C60H40Cl2N14O23S8/c61-55-67-57(71-59(69-55)65-41-25-33(101(79,80)81)20-30-22-43(100)49(51(77)47(30)41)75-73-39-18-14-27-6-1-3-8-35(27)53(39)106(94,95)96)63-32-16-12-29(45(24-32)104(88,89)90)13-17-37-38(10-5-11-44(37)103(85,86)87)64-58-68-56(62)70-60(72-58)66-42-26-34(102(82,83)84)21-31-23-46(105(91,92)93)50(52(78)48(31)42)76-74-40-19-15-28-7-2-4-9-36(28)54(40)107(97,98)99/h1-26,77-78,100H,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H2,63,65,67,69,71)(H2,64,66,68,70,72)/b17-13+,75-73+,76-74+

smiles:
OC1=C(N=NC2=C(C3=CC=CC=C3C=C2)S(O)(=O)=O)C(=CC2=CC(=CC(NC3=NC(Cl)=NC(NC4=CC(=C(C=CC5=C(NC6=NC(NC7=C8C(O)=C(N=NC9=C(C%10=CC=CC=C%10C=C9)S(O)(=O)=O)C(=CC8=CC(=C7)S(O)(=O)=O)S(O)(=O)=O)=NC(Cl)=N6)C=CC=C5S(O)(=O)=O)C=C4)S(O)(=O)=O)=N3)=C12)S(O)(=O)=O)S(


cas: 94022-70-5
formula: C20H14Cl2N6O7S2
inchikey: ZZIXZVKSACLTCQ-UHFFFAOYSA-N
norman_susdat_id: NS00064143
pubchem_cid: 135755752
smiles: O=S(=O)(O)C1=CC=2C=C(C(N=NC3=CC=C(C=C3)C)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(Cl)N4)S(=O)(=O)O
name:
5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(p-tolyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C20H14Cl2N6O7S2/c1-9-2-4-11(5-3-9)27-28-16-14(37(33,34)35)7-10-6-12(36(30,31)32)8-13(15(10)17(16)29)23-20-25-18(21)24-19(22)26-20/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26)


cas: 94022-71-6
chemspiderid: 57523046
dtxsid: DTXSID00240282
formula: C54H40Cl2N18O26S8
inchikey: JVHQMRKDOHWFRC-RDZSOMKUSA-N
norman_susdat_id: NS00021400
pubchem_cid: NA
name:
7,7'-(Vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-((aminocarbonyl)amino)-4,1-phenylene)azo))bisnaphthalene-1,3,6-trisulphonic acid

inchi:
InChI=1S/C54H40Cl2N18O26S8/c55-47-65-51(59-27-7-9-35(37(15-27)63-49(57)75)71-73-39-21-33-25(13-45(39)107(95,96)97)11-31(101(77,78)79)19-43(33)105(89,90)91)69-53(67-47)61-29-5-3-23(41(17-29)103(83,84)85)1-2-24-4-6-30(18-42(24)104(86,87)88)62-54-68-48(56)66-52(70-54)60-28-8-10-36(38(16-28)64-50(58)76)72-74-40-22-34-26(14-46(40)108(98,99)100)12-32(102(80,81)82)20-44(34)106(92,93)94/h1-22H,(H3,57,63,75)(H3,58,64,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H2,59,61,65,67,69)(H2,60,62,66,68,70)/b2-1+,73-71+,74-72+

smiles:
NC(=O)NC1=C(C=CC(NC2=NC(NC3=CC(=C(C=CC4=C(C=C(NC5=NC(Cl)=NC(NC6=CC(NC(N)=O)=C(C=C6)N=NC6=CC7=C(C=C(C=C7C=C6S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=N5)C=C4)S(O)(=O)=O)C=C3)S(O)(=O)=O)=NC(Cl)=N2)=C1)N=NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O


cas: 94022-72-7
formula: C19H12Cl2N6O7S2
inchikey: RZOLUHJNQNGEJW-UHFFFAOYSA-N
norman_susdat_id: NS00064144
pubchem_cid: 135755753
smiles: O=S(=O)(O)C=1C=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC=4N=C(Cl)N=C(Cl)N4)C1
name:
7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(3-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-10-4-5-13-9(6-10)7-14(36(32,33)34)15(16(13)28)27-26-11-2-1-3-12(8-11)35(29,30)31/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)


name: 4,5-dihydro-1-methyl-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-1H-imidazolium methyl sulphate
cas: 94022-74-9
dtxsid: DTXSID00916657
formula: C29H58N3O
inchikey: GKFRSXOYLDHCGT-UHFFFAOYSA-N
norman_susdat_id: NS00063991
pubchem_cid: NA
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCC)C)CCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C29H57N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-28-30-24-26-32(28,3)27-25-31-29(33)23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-27H2,1-3H3;1H3,(H,2,3,4)


name: 2-dodecyl-4,5-dihydro-1-methyl-1-[2-[(1-oxotetradecyl)amino]ethyl]-1H-imidazolium methyl sulphate
cas: 94022-76-1
dtxsid: DTXSID40916656
formula: C32H64N3O
inchikey: NQLHZTLABCOJCN-UHFFFAOYSA-N
norman_susdat_id: NS00064145
pubchem_cid: NA
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCCC)C)CCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C32H63N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-32(36)34-28-30-35(3)29-27-33-31(35)25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-30H2,1-3H3;1H3,(H,2,3,4)


name: 4,5-dihydro-1-methyl-1-[2-[(1-oxohexadecyl)amino]ethyl]-2-pentadecyl-1H-imidazolium methyl sulphate
cas: 94022-77-2
dtxsid: DTXSID60240283
formula: C37H74N3O
inchikey: ZWDYOMHYDBEDHD-UHFFFAOYSA-N
norman_susdat_id: NS00063992
pubchem_cid: NA
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCC)C)CCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4)


name: 4,5-dihydro-1-methyl-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium methyl sulphate
cas: 94022-81-8
dtxsid: DTXSID20916654
formula: C30H60N3O
inchikey: NGLQSUGHNOMQAH-UHFFFAOYSA-N
norman_susdat_id: NS00065300
pubchem_cid: NA
smiles: O=C(NCCC[N+]1(C(=NCC1)CCCCCCCCCCC)C)CCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C30H59N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-23-29-31-26-28-33(29,3)27-22-25-32-30(34)24-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-28H2,1-3H3;1H3,(H,2,3,4)


name: Methyl 2-[[(3,5-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
cas: 94022-83-0
formula: C17H21NO2
inchikey: NAMUVRSTEVMHAJ-UHFFFAOYSA-N
norman_susdat_id: NS00065301
pubchem_cid: 3023320
smiles: O=C(OC)C=1C=CC=CC1N=CC2CC(=CC(C)C2)C
inchi:
InChI=1/C17H21NO2/c1-12-8-13(2)10-14(9-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-8,11-12,14H,9-10H2,1-3H3


cas: 94022-86-3
formula: C40H36N4O12S2
inchikey: LREXSNYMCUVGLE-UHFFFAOYSA-N
norman_susdat_id: NS00092620
name:
3,3'-[cyclohexylidenebis[(2-methoxy-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonic) acid

inchi:
InChI=1/C40H36N4O12S2/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54)

smiles:
OS(=O)(=O)c7cc1ccc(O)cc1c(O)c7N=Nc2ccc(cc2OC)C3(CCCCC3)c6cc(OC)c(N=Nc5c(cc4ccc(O)cc4c5O)S(O)(=O)=O)cc6


cas: 94022-87-4
formula: C28H23N9O10S3
inchikey: GAEMZGRKJDSHKZ-UHFFFAOYSA-N
norman_susdat_id: NS00092194
smiles: Nc5ccc(N=Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccc(cc3)S(O)(=O)=O)c4O)S(O)(=O)=O)c(N)c5
name:
4-amino-3-[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C28H23N9O10S3/c29-15-1-10-21(20(30)13-15)35-32-16-2-4-17(5-3-16)33-36-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)31)37-34-18-6-8-19(9-7-18)48(39,40)41/h1-13,38H,29-31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)


name: 2-ethylhexyl dihydrogen phosphate, compound with 2-aminoethanol (1:2)
cas: 94023-01-5
formula: C8H19O4P.2C2H7NO
inchikey: YCLGZWVDDYMHDQ-UHFFFAOYSA-N
norman_susdat_id: NS00091991
smiles: O=P(O)(O)OCC(CCCC)CC.NCCO.NCCO
inchi:
InChI=1/C8H19O4P.2C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);2*4H,1-3H2


name: 2-ethylhexyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)
cas: 94023-02-6
formula: C8H19O4P.2C4H11NO2
inchikey: LJAHVCSVFTVDAJ-UHFFFAOYSA-N
norman_susdat_id: NS00092624
smiles: O=P(O)(O)OCC(CCCC)CC.OCCNCCO.OCCNCCO
inchi:
InChI=1/C8H19O4P.2C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);2*5-7H,1-4H2


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
cas: 94023-03-7
formula: C16H35O4P.C4H11NO2
inchikey: QCVJYWVDDHAGNP-UHFFFAOYSA-N
norman_susdat_id: NS00091916
smiles: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCNCCO
inchi:
InChI=1/C16H35O4P.C4H11NO2/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;6-3-1-5-2-4-7/h15-16H,5-14H2,1-4H3,(H,17,18);5-7H,1-4H2


name: [2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)ethyl]guanidine monohydrochloride
cas: 94023-04-8
dtxsid: DTXSID90916646
formula: C12H15N5OS
inchikey: QFLWKLAYLMEBKH-UHFFFAOYSA-N
norman_susdat_id: NS00063993
pubchem_cid: 3023327
smiles: Cl.O=C1N(C(=S)NC1CCNC(=N)N)C=2C=CC=CC2
inchi:
InChI=1/C12H15N5OS.ClH/c13-11(14)15-7-6-9-10(18)17(12(19)16-9)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,16,19)(H4,13,14,15);1H


cas: 94023-05-9
formula: C12H36N4O18P6.11K
inchikey: MIRWYEKUXFEWBB-UHFFFAOYSA-B
norman_susdat_id: NS00091917
name:
Undecapotassium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.11K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;/q;11*+1/p-12

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


cas: 94023-06-0
formula: C12H36N4O18P6.12K
inchikey: WLMRDPQFGGNAMP-UHFFFAOYSA-B
norman_susdat_id: NS00091992
name:
Dodecapotassium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.12K/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);;;;;;;;;;;;/q;12*+1/p-12

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


cas: 94023-07-1
formula: C12H36N4O18P6.6H3N
inchikey: BNVPFRHEZNXYEG-UHFFFAOYSA-H
norman_susdat_id: NS00091928
name:
Hexaammonium hexahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.6H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);6*1H3/p-6

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


cas: 94023-08-2
formula: C12H36N4O18P6.7H3N
inchikey: QZXQTKCQJAKXJP-UHFFFAOYSA-I
norman_susdat_id: NS00092205
name:
Heptaammonium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.7H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);7*1H3/p-5

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


cas: 94023-09-3
formula: C12H36N4O18P6.8H3N
inchikey: OAEIAAMQXRIICJ-UHFFFAOYSA-J
norman_susdat_id: NS00092002
name:
Octaammonium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.8H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);8*1H3/p-4

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


cas: 94023-10-6
formula: C12H36N4O18P6.9H3N
inchikey: CPQQUNZBEIHWIM-UHFFFAOYSA-K
norman_susdat_id: NS00092003
name:
Nonaammonium trishydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.9H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);9*1H3/p-3

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


cas: 94023-11-7
formula: C12H36N4O18P6.11H3N
inchikey: KVJSZRPTDIBEMT-UHFFFAOYSA-M
norman_susdat_id: NS00092206
name:
Undecaammonium hydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1/C12H36N4O18P6.11H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);11*1H3/p-1

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


cas: 94023-14-0
formula: C25H21N5O8S2
inchikey: AGXLHZIQAMAYBI-UHFFFAOYSA-L
norman_susdat_id: NS00065339
pubchem_cid: NA
name:
Disodium 7-(acetylamino)-4-hydroxy-3-[[2-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C25H21N5O8S2.2Na/c1-14-11-19(28-27-17-3-7-20(8-4-17)39(33,34)35)6-10-22(14)29-30-24-23(40(36,37)38)13-16-12-18(26-15(2)31)5-9-21(16)25(24)32;;/h3-13,32H,1-2H3,(H,26,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3C)C2O)S(=O)(=O)[O-])C


name: Tetrasodium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-16-2
formula: C10H28N2O12P4.4Na
inchikey: UHRYZBHOYOHLER-UHFFFAOYSA-F
norman_susdat_id: NS00091929
inchi:
InChI=1/C10H28N2O12P4.4Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-8

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


name: Heptasodium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-17-3
formula: C10H28N2O12P4.7Na
inchikey: GNCBVFPCLZAXKX-UHFFFAOYSA-F
norman_susdat_id: NS00092004
inchi:
InChI=1/C10H28N2O12P4.7Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;/q;7*+1/p-8

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


name: Octasodium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-18-4
formula: C10H28N2O12P4.8Na
inchikey: DGCKJBZTJPQAPT-UHFFFAOYSA-F
norman_susdat_id: NS00092627
inchi:
InChI=1/C10H28N2O12P4.8Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;/q;8*+1/p-8

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


name: Tetrapotassium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-19-5
formula: C10H28N2O12P4.4K
inchikey: AUDREQKHBQUMBJ-UHFFFAOYSA-F
norman_susdat_id: NS00092637
smiles: [K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H28N2O12P4.4K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-8


name: Pentapotassium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-20-8
formula: C10H28N2O12P4.5K
inchikey: FZWFYUHHGJEQGB-UHFFFAOYSA-F
norman_susdat_id: NS00092207
inchi:
InChI=1/C10H28N2O12P4.5K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;/q;5*+1/p-8

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


name: Heptapotassium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-21-9
formula: C10H28N2O12P4.7K
inchikey: MZEXUDZWBOOGHK-UHFFFAOYSA-F
norman_susdat_id: NS00092005
inchi:
InChI=1/C10H28N2O12P4.7K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;/q;7*+1/p-8

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


name: Pentaammonium trihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-22-0
formula: C10H28N2O12P4.5H3N
inchikey: WIFCXSGFALMVIE-UHFFFAOYSA-K
norman_susdat_id: NS00091930
inchi:
InChI=1/C10H28N2O12P4.5H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);5*1H3/p-3

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


name: Heptaammonium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 94023-23-1
formula: C10H28N2O12P4.7H3N
inchikey: NDNXEPOGGMDFFG-UHFFFAOYSA-M
norman_susdat_id: NS00092208
inchi:
InChI=1/C10H28N2O12P4.7H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);7*1H3/p-1

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


name: Zirconium D-gluconate
cas: 94023-24-2
formula: C6H12O7.xZr
inchi: InChI=1/2C6H12O7.Zr/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
inchikey: UCLGERVGEBIKMJ-IYEMJOQQSA-L
norman_susdat_id: NS00092209
smiles:
[Zr+2].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: 1-Amino-4-m-anisidino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 94023-25-3
chemspiderid: 2286234
dtxsid: DTXSID40240307
formula: C21H16N2O6S1
inchikey: UOXSNOOWASRNHS-UHFFFAOYSA-N
norman_susdat_id: NS00039919
pubchem_cid: 3018777
smiles: COC1=CC=CC(NC2=CC(=C(N)C3=C2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)=C1
inchi:
InChI=1S/C21H16N2O6S/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)


name: 1,2,3,4-tetrahydro-6-[(4-nitrophenyl)azo]benzo[h]quinoline-3,7-diol
cas: 94023-26-4
dtxsid: DTXSID30916645
formula: C19H17N4O4
inchikey: WVJOJDCLAFKLPC-UHFFFAOYSA-N
norman_susdat_id: NS00065357
pubchem_cid: 136086329
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC3=C(NCC(O)C3)C=4C=CC=C(O)C24)C=C1
inchi:
InChI=1/C19H16N4O4/c24-14-8-11-9-16(22-21-12-4-6-13(7-5-12)23(26)27)18-15(19(11)20-10-14)2-1-3-17(18)25/h1-7,9,14,20,24-25H,8,10H2


name: 1-[(2-ethylhexyl)amino]-4-hydroxyanthraquinone
cas: 94023-27-5
dtxsid: DTXSID70916644
formula: C22H25NO3
inchikey: MXZJNSQLKYADNZ-UHFFFAOYSA-N
norman_susdat_id: NS00064173
pubchem_cid: 16205941
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NCC(CC)CCCC
inchi:
InChI=1/C22H25NO3/c1-3-5-8-14(4-2)13-23-17-11-12-18(24)20-19(17)21(25)15-9-6-7-10-16(15)22(20)26/h6-7,9-12,14,23-24H,3-5,8,13H2,1-2H3


name: 2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl stearate
cas: 94023-28-6
dtxsid: DTXSID10916643
formula: C42H84O18
inchikey: VANIXXKHZVDVAK-UHFFFAOYSA-N
norman_susdat_id: NS00065358
pubchem_cid: 44149984
smiles: O=C(OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H84O18/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/h34-41,43-51H,2-33H2,1H3


name: Disodium N-[2-[(carboxylatomethyl)(2-hydroxyethyl)amino]ethyl]-N-(1-oxotetradecyl)glycinate
cas: 94023-29-7
dtxsid: DTXSID00240308
formula: C22H42N2O6
inchikey: KGXNDLOESKIXEY-UHFFFAOYSA-L
norman_susdat_id: NS00064533
pubchem_cid: NA
smiles: [Na+].[Na+].O=C([O-])CN(C(=O)CCCCCCCCCCCCC)CCN(CC(=O)[O-])CCO
inchi:
InChI=1/C22H42N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)24(19-22(29)30)15-14-23(16-17-25)18-21(27)28;;/h25H,2-19H2,1H3,(H,27,28)(H,29,30);;/q;2*+1/p-2


name: Sodium N-[2-[(2-hydroxyethyl)amino]ethyl]-N-(1-oxododecyl)glycinate
cas: 94023-30-0
dtxsid: DTXSID60240309
formula: C18H36N2O4
inchikey: IVSRFSBQTCKMCL-UHFFFAOYSA-M
norman_susdat_id: NS00064189
pubchem_cid: 44148380
smiles: [Na+].O=C([O-])CN(C(=O)CCCCCCCCCCC)CCNCCO
inchi:
InChI=1/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)20(16-18(23)24)14-12-19-13-15-21;/h19,21H,2-16H2,1H3,(H,23,24);/q;+1/p-1


name: N,N'-[ethylenebis(iminoethylene)]bis(octadec-9-enamide) monoacetate
cas: 94023-31-1
formula: C42H82N4O2.C2H4O2
inchikey: AWDMRTSEHLUASP-UHFFFAOYSA-N
norman_susdat_id: NS00091931
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O
inchi:
InChI=1/C42H82N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)


name: N,N'-[ethylenebis(iminoethylene)]bis(octadeca-9,12-dienamide) monoacetate
cas: 94023-32-2
formula: C42H78N4O2.C2H4O2
inchikey: MLCMOWWJMQXVNA-UHFFFAOYSA-N
norman_susdat_id: NS00091932
smiles: CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O
inchi:
InChI=1/C42H78N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,43-44H,3-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)


name: N,N'-[ethylenebis(iminoethylene)]bis(octadeca-9,12,15-trienamide) monoacetate
cas: 94023-33-3
formula: C42H74N4O2.C2H4O2
inchikey: OYZZTHRNAAAZHW-UHFFFAOYSA-N
norman_susdat_id: NS00091933
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O
inchi:
InChI=1/C42H74N4O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,43-44H,3-4,9-10,15-16,21-40H2,1-2H3,(H,45,47)(H,46,48);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bis(dodecanamide) monoacetate
cas: 94023-34-4
formula: C32H67N5O2.C2H4O2
inchikey: IGHUMDFQSZVAKT-UHFFFAOYSA-N
norman_susdat_id: NS00091947
smiles: CCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C32H67N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-31(38)36-29-27-34-25-23-33-24-26-35-28-30-37-32(39)22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h33-35H,3-30H2,1-2H3,(H,36,38)(H,37,39);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bismyristamide
cas: 94023-35-5
formula: C36H75N5O2
inchikey: PCXDWMCMOJNBEU-UHFFFAOYSA-N
norman_susdat_id: NS00092638
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC
inchi:
InChI=1/C36H75N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(42)40-33-31-38-29-27-37-28-30-39-32-34-41-36(43)26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39H,3-34H2,1-2H3,(H,40,42)(H,41,43)


name: N,N'-[iminobis(ethyleneiminoethylene)]bismyristamide monoacetate
cas: 94023-36-6
dtxsid: DTXSID30916640
formula: C36H75N5O2
inchikey: KOKXCRRMSRWXFL-UHFFFAOYSA-N
norman_susdat_id: NS00064190
pubchem_cid: 57356424
smiles: O=C(O)C.O=C(NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C36H75N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(42)40-33-31-38-29-27-37-28-30-39-32-34-41-36(43)26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h37-39H,3-34H2,1-2H3,(H,40,42)(H,41,43);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bispalmitamide monoacetate
cas: 94023-37-7
formula: C40H83N5O2.C2H4O2
inchikey: QNYSDBVQHXTNPD-UHFFFAOYSA-N
norman_susdat_id: NS00091948
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C40H83N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)44-37-35-42-33-31-41-32-34-43-36-38-45-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h41-43H,3-38H2,1-2H3,(H,44,46)(H,45,47);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bis(octadec-9-enamide) monoacetate
cas: 94023-39-9
formula: C44H87N5O2.C2H4O2
inchikey: LMJDARCOTNCEEA-UHFFFAOYSA-N
norman_susdat_id: NS00092640
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCCCCCCCC.CC(O)=O
inchi:
InChI=1/C44H87N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bis(octadeca-9,12-dienamide) monoacetate
cas: 94023-40-2
formula: C44H83N5O2.C2H4O2
inchikey: GUKDTEUXHVOXDS-UHFFFAOYSA-N
norman_susdat_id: NS00092210
smiles: CCCCCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCCCCC.CC(O)=O
inchi:
InChI=1/C44H83N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h11-14,17-20,45-47H,3-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)


name: N,N'-[iminobis(ethyleneiminoethylene)]bis(octadeca-9,12,15-trienamide) monoacetate
cas: 94023-41-3
formula: C44H79N5O2.C2H4O2
inchikey: CUXOPZYNGSZYCM-UHFFFAOYSA-N
norman_susdat_id: NS00092641
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC.CC(O)=O
inchi:
InChI=1/C44H79N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h5-8,11-14,17-20,45-47H,3-4,9-10,15-16,21-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)


name: 4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium acetate
cas: 94023-42-4
formula: C16H32N2O.C2H4O2
inchikey: JQWVEKVPFBJSAK-UHFFFAOYSA-N
norman_susdat_id: NS00092018
smiles: CCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-]
inchi:
InChI=1/C16H32N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-13-18(16)14-15-19;1-2(3)4/h19H,2-15H2,1H3;1H3,(H,3,4)


name: 4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-1H-imidazolium acetate
cas: 94023-43-5
formula: C18H36N2O.C2H4O2
inchikey: RHEIWBLLWLGOFB-UHFFFAOYSA-N
norman_susdat_id: NS00092019
smiles: CCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-]
inchi:
InChI=1/C18H36N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21;1-2(3)4/h21H,2-17H2,1H3;1H3,(H,3,4)


name: 4,5-dihydro-1-(2-hydroxyethyl)-2-pentadecyl-1H-imidazolium acetate
cas: 94023-44-6
formula: C20H40N2O.C2H4O2
inchikey: YLPVOJIARBNJMT-UHFFFAOYSA-N
norman_susdat_id: NS00092211
smiles: CCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-]
inchi:
InChI=1/C20H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23;1-2(3)4/h23H,2-19H2,1H3;1H3,(H,3,4)


name: 2-(heptadeca-8,11-dienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate
cas: 94023-46-8
formula: C22H40N2O
inchikey: ZVAKMOYSMUCXTR-UHFFFAOYSA-N
norman_susdat_id: NS00065390
pubchem_cid: 57356435
smiles: O=C([O-])C.OCC[NH+]1C(=NCC1)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C22H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h6-7,9-10,25H,2-5,8,11-21H2,1H3;1H3,(H,3,4)


name: 2-(heptadeca-8,11,14-trienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate
cas: 94023-48-0
formula: C22H38N2O
inchikey: ADUCXTOEDQTCOD-UHFFFAOYSA-N
norman_susdat_id: NS00064078
pubchem_cid: NA
smiles: O=C([O-])C.OCC[NH+]1C(=NCC1)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C22H38N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h3-4,6-7,9-10,25H,2,5,8,11-21H2,1H3;1H3,(H,3,4)


name: N-(2-carboxyethyl)-N-dodecyl-ß-alanine, compound with methylamine (1:1)
cas: 94023-55-9
formula: C18H35NO4.CH5N
inchikey: UPOFMHQHTOKXBB-UHFFFAOYSA-N
norman_susdat_id: NS00092260
smiles: CN.CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
inchi:
InChI=1/C18H35NO4.CH5N/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;1-2/h2-16H2,1H3,(H,20,21)(H,22,23);2H2,1H3


name: Lithium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate
cas: 94023-56-0
formula: C18H35NO4.Li
inchikey: LYXLRNNMIVYSAT-UHFFFAOYSA-M
norman_susdat_id: NS00092680
smiles: [Li+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1/C18H35NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);/q;+1/p-1


name: Ammonium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate
cas: 94023-57-1
formula: C18H35NO4.H3N
inchikey: IHPQJWNGWKLWDT-UHFFFAOYSA-N
norman_susdat_id: NS00091965
smiles: [NH4+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1/C18H35NO4.H3N/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;/h2-16H2,1H3,(H,20,21)(H,22,23);1H3


name: N,N'-Bis(4-hydroxyphenyl)thioperoxydicarbamic acid
cas: 94023-58-2
chemspiderid: 21166558
dtxsid: DTXSID50240318
formula: C14H12N2O2S4
inchikey: FIDGBUGKYTUELU-UHFFFAOYSA-N
norman_susdat_id: NS00039922
pubchem_cid: 56841322
smiles: OC1=CC=C(NC(=S)SSC(=S)NC2=CC=C(O)C=C2)C=C1
inchi:
InChI=1S/C14H12N2O2S4/c17-11-5-1-9(2-6-11)15-13(19)21-22-14(20)16-10-3-7-12(18)8-4-10/h1-8,17-18H,(H,15,19)(H,16,20)


name: 1,1-Bis(heptyloxy)nonane
cas: 94023-66-2
chemspiderid: 2289579
dtxsid: DTXSID40240322
formula: C23H48O2
inchikey: LSUBJKMXQOLTFL-UHFFFAOYSA-N
norman_susdat_id: NS00039923
pubchem_cid: 3023344
smiles: CCCCCCCCC(OCCCCCCC)OCCCCCCC
inchi:
InChI=1S/C23H48O2/c1-4-7-10-13-14-17-20-23(24-21-18-15-11-8-5-2)25-22-19-16-12-9-6-3/h23H,4-22H2,1-3H3


name: 4-(2-(4-Carboxyphenoxy)ethoxy)-3-chlorobenzoic acid
cas: 94023-72-0
chemspiderid: 2289584
dtxsid: DTXSID60240324
formula: C16H13Cl1O6
inchikey: ZOTIAGGMDTXJIW-UHFFFAOYSA-N
norman_susdat_id: NS00039925
pubchem_cid: 3023349
smiles: OC(=O)c1ccc(OCCOc2c(Cl)cc(cc2)C(=O)O)cc1
inchi:
InChI=1S/C16H13ClO6/c17-13-9-11(16(20)21)3-6-14(13)23-8-7-22-12-4-1-10(2-5-12)15(18)19/h1-6,9H,7-8H2,(H,18,19)(H,20,21)


name: 4-(2-(4-Carboxy-2-chlorophenoxy)ethoxy)-3,5-dichlorobenzoic acid
cas: 94023-73-1
chemspiderid: 2289585
dtxsid: DTXSID20240325
formula: C16H11Cl3O6
inchikey: AUXZGERXVFLLTE-UHFFFAOYSA-N
norman_susdat_id: NS00039926
pubchem_cid: 3023350
smiles: OC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)cc1
inchi:
InChI=1S/C16H11Cl3O6/c17-10-5-8(15(20)21)1-2-13(10)24-3-4-25-14-11(18)6-9(16(22)23)7-12(14)19/h1-2,5-7H,3-4H2,(H,20,21)(H,22,23)


name: Methyl 3,5-dichloro-4-(2-(2-chloro-4-(methoxycarbonyl)phenoxy)ethoxy)benzoate
cas: 94023-74-2
chemspiderid: 2289586
dtxsid: DTXSID80240326
formula: C18H15Cl3O6
inchikey: ZYKQVJATDNUGMP-UHFFFAOYSA-N
norman_susdat_id: NS00039927
pubchem_cid: 3023351
smiles: COC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)OC)cc1
inchi:
InChI=1S/C18H15Cl3O6/c1-24-17(22)10-3-4-15(12(19)7-10)26-5-6-27-16-13(20)8-11(9-14(16)21)18(23)25-2/h3-4,7-9H,5-6H2,1-2H3


name: 3-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-5-carboxamide
cas: 940289-57-6
chebiid: CHEBI:47273
formula: C19H18ClN3O4
inchikey: HUNAOTXNHVALTN-UHFFFAOYSA-N
norman_susdat_id: NS00069900
smiles: CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1
inchi:
InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)


name: 1-(4-dodecylphenyl)octane-1,2-dione dioxime
cas: 94030-73-6
formula: C26H44N2O2
inchikey: IPFUNASTQOWBGI-UHFFFAOYSA-N
norman_susdat_id: NS00064039
pubchem_cid: 136270253
smiles: ON=C(C1=CC=C(C=C1)CCCCCCCCCCCC)C(=NO)CCCCCC
inchi:
InChI=1/C26H44N2O2/c1-3-5-7-9-10-11-12-13-14-15-17-23-19-21-24(22-20-23)26(28-30)25(27-29)18-16-8-6-4-2/h19-22,29-30H,3-18H2,1-2H3


name: (5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl N-methyl-N-(1-oxododecyl)aminoacetate
cas: 94030-74-7
chemspiderid: 26552376
dtxsid: DTXSID70240330
formula: C21H33N1O6
inchikey: MMHPAYMHNWFIQL-UHFFFAOYSA-N
norman_susdat_id: NS00039929
pubchem_cid: 44151543
smiles: CCCCCCCCCCCC(=O)N(C)CC(=O)OCc1cc(=O)c(O)co1
inchi:
InChI=1S/C21H33NO6/c1-3-4-5-6-7-8-9-10-11-12-20(25)22(2)14-21(26)28-15-17-13-18(23)19(24)16-27-17/h13,16,24H,3-12,14-15H2,1-2H3


name: N-(3-Acetyl-4-hydroxyphenyl)heptan-1-amide
cas: 94030-77-0
chemspiderid: 2289593
dtxsid: DTXSID50240333
formula: C15H21N1O3
inchikey: YLBAPXILOGJWPD-UHFFFAOYSA-N
norman_susdat_id: NS00039931
pubchem_cid: 3023358
smiles: CCCCCCC(=O)Nc1cc(C(=O)C)c(O)cc1
inchi:
InChI=1S/C15H21NO3/c1-3-4-5-6-7-15(19)16-12-8-9-14(18)13(10-12)11(2)17/h8-10,18H,3-7H2,1-2H3,(H,16,19)


name: (2-((2-Amino-4-nitrophenyl)thio)-5-nitrophenyl) phenyl ketone
cas: 94030-78-1
chemspiderid: 2289594
dtxsid: DTXSID10240334
formula: C19H13N3O5S1
inchikey: GQJMBYHJULRYJZ-UHFFFAOYSA-N
norman_susdat_id: NS00039932
pubchem_cid: 3023359
smiles: Nc1c(Sc2c(cc(cc2)[N+](=O)[O-])C(=O)c2ccccc2)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C19H13N3O5S/c20-16-11-14(22(26)27)7-9-18(16)28-17-8-6-13(21(24)25)10-15(17)19(23)12-4-2-1-3-5-12/h1-11H,20H2


name: 4-cyanophenyl N-(4-cyanophenyl)benzenecarboximidate
cas: 94030-79-2
formula: C21H13N3O
inchikey: CHRNVUWHCUFYJB-UHFFFAOYSA-N
norman_susdat_id: NS00063498
pubchem_cid: 5744229
smiles: N#CC1=CC=C(N=C(OC2=CC=C(C#N)C=C2)C=3C=CC=CC3)C=C1
inchi:
InChI=1/C21H13N3O/c22-14-16-6-10-19(11-7-16)24-21(18-4-2-1-3-5-18)25-20-12-8-17(15-23)9-13-20/h1-13H


name: 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-ol
cas: 94030-86-1
formula: C16H26O
inchikey: CUUPRDMEAKEYAC-UHFFFAOYSA-N
norman_susdat_id: NS00063499
pubchem_cid: 3023361
smiles: OC(C=CC1C(=CCCC1(C)C)C)CCC=C
inchi:
InChI=1/C16H26O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,14-15,17H,1,6-7,9,12H2,2-4H3


name: (3ß,17ß)-17-methylandrost-5-ene-3,17-diyl bis(3-oxononanoate)
cas: 94030-88-3
dtxsid: DTXSID90916621
formula: C38H60O6
inchikey: ASAWDXJIGAVOBY-KTGQPBQXSA-N
norman_susdat_id: NS00063500
pubchem_cid: 44150473
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)CC(=O)CCCCCC)C)C2(C)CC1)CC(=O)CCCCCC
inchi:
InChI=1/C38H60O6/c1-6-8-10-12-14-28(39)25-34(41)43-30-18-21-36(3)27(24-30)16-17-31-32(36)19-22-37(4)33(31)20-23-38(37,5)44-35(42)26-29(40)15-13-11-9-7-2/h16,30-33H,6-15,17-26H2,1-5H3


name: Sodium 4-(dodecyloxy)benzenesulphonate
cas: 94030-90-7
dtxsid: DTXSID90888733
formula: C18H30O4S
inchikey: QKDUCELGAVTWTI-UHFFFAOYSA-M
norman_susdat_id: NS00064919
pubchem_cid: 3023363
smiles: [Na+].O=S(=O)([O-])C1=CC=C(OCCCCCCCCCCCC)C=C1
inchi:
InChI=1/C18H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23(19,20)21;/h12-15H,2-11,16H2,1H3,(H,19,20,21);/q;+1/p-1


name: Potassium 5-(acetylamino)-1-hydroxy-2-naphthoate
cas: 94030-92-9
formula: C13H11NO4.K
inchikey: YMCKBVPFTSKEGS-UHFFFAOYSA-M
norman_susdat_id: NS00091706
smiles: [K+].CC(=O)Nc1cccc2c(O)c(ccc12)C(=O)[O-]
inchi:
InChI=1/C13H11NO4.K/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18;/h2-6,16H,1H3,(H,14,15)(H,17,18);/q;+1/p-1


name: 6,7-dihydro-1,2-diphenyl-5H-pyrazolo[5,1-b][1,3]oxazinium chloride
cas: 94030-94-1
dtxsid: DTXSID90240337
formula: C18H17N2O
inchikey: VZPZPTFONLHLSW-UHFFFAOYSA-M
norman_susdat_id: NS00064920
pubchem_cid: 44151316
smiles: [Cl-].O1C=2C=C(C=3C=CC=CC3)N(C=4C=CC=CC4)[N+]2CCC1
inchi:
InChI=1/C18H17N2O.ClH/c1-3-8-15(9-4-1)17-14-18-19(12-7-13-21-18)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1


name: N-[3-[(3-fluorophenyl)methylamino]-2-hydroxypropyl]benzamide
cas: 94030-95-2
dtxsid: DTXSID30916620
formula: C17H19FN2O2
inchikey: HNSPHBVGTCNGOE-UHFFFAOYSA-N
norman_susdat_id: NS00063674
pubchem_cid: 21149775
smiles: O=C(NCC(O)CN(C=1C=CC=C(F)C1)C)C=2C=CC=CC2
inchi:
InChI=1/C17H19FN2O2/c1-20(15-9-5-8-14(18)10-15)12-16(21)11-19-17(22)13-6-3-2-4-7-13/h2-10,16,21H,11-12H2,1H3,(H,19,22)


name: N-[[5-(2-fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]phthalimide
cas: 94030-96-3
dtxsid: DTXSID20916619
formula: C25H20FN3O2
inchikey: GJJJVONLYFECJX-UHFFFAOYSA-N
norman_susdat_id: NS00064060
pubchem_cid: 44153340
smiles: O=C1C=2C=CC=CC2C(=O)N1CC3N(C=4C=CC=CC4C(=NC3)C=5C=CC=CC5F)C
inchi:
InChI=1/C25H20FN3O2/c1-28-16(15-29-24(30)17-8-2-3-9-18(17)25(29)31)14-27-23(19-10-4-6-12-21(19)26)20-11-5-7-13-22(20)28/h2-13,16H,14-15H2,1H3


cas: 94030-97-4
dtxsid: DTXSID60916618
formula: C25H20FN3O2
inchikey: QTTOVYJPLUFODL-UHFFFAOYSA-N
norman_susdat_id: NS00064921
pubchem_cid: 44153521
smiles: O=C1C=2C=CC=CC2C(=O)N1CC3N(C=4C=C(F)C=CC4C(=NC3)C=5C=CC=CC5)C
name:
2-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione

inchi:
InChI=1/C25H20FN3O2/c1-28-18(15-29-24(30)19-9-5-6-10-20(19)25(29)31)14-27-23(16-7-3-2-4-8-16)21-12-11-17(26)13-22(21)28/h2-13,18H,14-15H2,1H3


name: 2-(dimethylheptyl)-4,5-dihydro-1-(2-hydroxyethyl)-3-methyl-1H-imidazolium methyl sulphate
cas: 94030-99-6
dtxsid: DTXSID00916617
formula: C15H32N2O
inchikey: FDTDKFWHRUYBQT-UHFFFAOYSA-N
norman_susdat_id: NS00064061
pubchem_cid: 57356442
smiles: O=S(=O)([O-])OC.OCC[NH+]1CCN(C)C1C(C)(C)CCCCCC
inchi:
InChI=1/C15H32N2O.CH4O4S/c1-5-6-7-8-9-15(2,3)14-16(4)10-11-17(14)12-13-18;1-5-6(2,3)4/h14,18H,5-13H2,1-4H3;1H3,(H,2,3,4)


name: Tris(((2-aminoethyl)amino)methyl)phenol
cas: 94031-01-3
chemspiderid: 2289600
dtxsid: DTXSID10240339
formula: C15H30N6O1
inchikey: AXCKGFZSFFLPCP-UHFFFAOYSA-N
norman_susdat_id: NS00039934
pubchem_cid: 3023369
smiles: NCCNCC1=C(CNCCN)C(CNCCN)=C(O)C=C1
inchi:
InChI=1S/C15H30N6O/c16-3-6-19-9-12-1-2-15(22)14(11-21-8-5-18)13(12)10-20-7-4-17/h1-2,19-22H,3-11,16-18H2


name: 6,11-dihydro-6,11-dioxo-1H-anthra[1,2-d]triazolesulphonic acid
cas: 94031-12-6
formula: C14H7N3O5S
inchikey: YDCWBUDKVKLHLT-UHFFFAOYSA-N
norman_susdat_id: NS00064923
pubchem_cid: 6415467
smiles: O=C1C=2C=CC=CC2C(=O)C=3C1=CC(=C4N=NNC43)S(=O)(=O)O
inchi:
InChI=1/C14H7N3O5S/c18-13-6-3-1-2-4-7(6)14(19)10-8(13)5-9(23(20,21)22)11-12(10)16-17-15-11/h1-5H,(H,15,16,17)(H,20,21,22)


name: D-Glucitol pentalaurate
cas: 94031-16-0
chemspiderid: 21166571
dtxsid: DTXSID80240341
formula: C66H124O11
inchikey: IZKIAWVEBPKWDU-KMFICJIMSA-N
norman_susdat_id: NS00039936
pubchem_cid: 44151156
inchi:
InChI=1S/C66H124O11/c1-6-11-16-21-26-31-36-41-46-51-60(68)73-57-59(75-62(70)53-48-43-38-33-28-23-18-13-8-3)66(77-64(72)55-50-45-40-35-30-25-20-15-10-5)65(76-63(71)54-49-44-39-34-29-24-19-14-9-4)58(56-67)74-61(69)52-47-42-37-32-27-22-17-12-7-2/h58-59,65-67H,6-57H2,1-5H3/t58-,59+,65-,66-/m1/s1

smiles:
CCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCC


name: D-Glucitol monoacetate monopalmitate
cas: 94031-17-1
chemspiderid: 21166572
dtxsid: DTXSID40240342
formula: C24H46O8
inchikey: QJKCNISRTFUPPL-CBJLPSGESA-N
norman_susdat_id: NS00039937
pubchem_cid: 44150846
smiles: CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C24H46O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(28)32-21(18-31-19(2)26)24(30)23(29)20(27)17-25/h20-21,23-25,27,29-30H,3-18H2,1-2H3/t20-,21+,23-,24-/m1/s1


name: D-glucitol mono(12-hydroxystearate)
cas: 94031-18-2
dtxsid: DTXSID00240343
formula: C24H48O8
inchikey: IGIPFDRIGNFVLG-GYCSINLISA-N
norman_susdat_id: NS00064924
pubchem_cid: 44145478
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C24H48O8/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(29)32-18-21(28)24(31)23(30)20(27)17-25/h19-21,23-28,30-31H,2-18H2,1H3


name: Bis(3,5,5-trimethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
cas: 94031-19-3
dtxsid: DTXSID70916609
formula: C27H42O6
inchikey: NBYNKFCKZBVTMQ-UHFFFAOYSA-N
norman_susdat_id: NS00064062
pubchem_cid: 57356445
smiles: O=C(O)C1=CC=C(C(=O)OCCC(C)CC(C)(C)C)C(=C1)C(=O)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C27H42O6/c1-18(16-26(3,4)5)11-13-32-24(30)21-10-9-20(23(28)29)15-22(21)25(31)33-14-12-19(2)17-27(6,7)8/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H,28,29)


name: Cinnamic acid, monoamide with piperazine-1-ethylamine
cas: 94031-21-7
chemspiderid: 4813405
dtxsid: DTXSID20240345
formula: C15H21N3O1
inchikey: ZBDXFZXQRLMJNH-VOTSOKGWSA-N
norman_susdat_id: NS00039940
pubchem_cid: 6112372
smiles: O=C(NCCN1CCNCC1)C=CC1=CC=CC=C1
inchi:
InChI=1S/C15H21N3O/c19-15(7-6-14-4-2-1-3-5-14)17-10-13-18-11-8-16-9-12-18/h1-7,16H,8-13H2,(H,17,19)/b7-6+


name: Sucrose tetralaurate
cas: 94031-22-8
dtxsid: DTXSID80240346
formula: C60H110O15
inchikey: IHSHXVNWRIASAB-XZGAGMAHSA-N
norman_susdat_id: NS00064110
pubchem_cid: NA
inchi:
InChI=1/C60H110O15/c1-5-9-13-17-21-25-29-33-37-41-50(64)70-55-49(46-62)74-60(47-63,58(55)73-53(67)44-40-36-32-28-24-20-16-12-8-4)75-59-57(72-52(66)43-39-35-31-27-23-19-15-11-7-3)56(54(68)48(45-61)69-59)71-51(65)42-38-34-30-26-22-18-14-10-6-2/h48-49,54-59,61-63,68H,5-47H2,1-4H3

smiles:
O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCC)C2OC(=O)CCCCCCCCCCC)CO)CCCCCCCCCCC


name: Sucrose trilaurate
cas: 94031-23-9
dtxsid: DTXSID40240347
formula: C48H88O14
inchikey: WTIYUEMBXCRZEQ-KFURIYDISA-N
norman_susdat_id: NS00064960
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCC)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCC)CO)CCCCCCCCCCC
inchi:
InChI=1/C48H88O14/c1-4-7-10-13-16-19-22-25-28-31-39(52)58-44-42(55)37(34-49)57-47(45(44)59-40(53)32-29-26-23-20-17-14-11-8-5-2)62-48(36-51)46(43(56)38(35-50)61-48)60-41(54)33-30-27-24-21-18-15-12-9-6-3/h37-38,42-47,49-51,55-56H,4-36H2,1-3H3


name: Sucrose heptamyristate
cas: 94031-24-0
dtxsid: DTXSID00240348
formula: C110H204O18
inchikey: XQJYXYBLMYFQOY-WIKZPNJNSA-N
norman_susdat_id: NS00064111
pubchem_cid: 44144736
inchi:
InChI=1/C110H204O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-97(112)119-93-96-105(123-100(115)88-81-74-67-60-53-46-39-32-25-18-11-4)108(126-103(118)91-84-77-70-63-56-49-42-35-28-21-14-7)110(127-96,94-120-98(113)86-79-72-65-58-51-44-37-30-23-16-9-2)128-109-107(125-102(117)90-83-76-69-62-55-48-41-34-27-20-13-6)106(124-101(116)89-82-75-68-61-54-47-40-33-26-19-12-5)104(95(92-111)121-109)122-99(114)87-80-73-66-59-52-45-38-31-24-17-10-3/h95-96,104-109,111H,8-94H2,1-7H3

smiles:
O=C(OCC1OC(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC


name: (Z)-N-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)propyl]-9-octadecenamide
cas: 94042-66-7
formula: C25H42N2O3
inchikey: WDGNYSGWEPCUSE-KTKRTIGZSA-N
norman_susdat_id: NS00064961
pubchem_cid: 20836298
smiles: O=C1C=CC(=O)N1CCCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(28)26-21-17-22-27-24(29)19-20-25(27)30/h9-10,19-20H,2-8,11-18,21-22H2,1H3,(H,26,28)


name: Oleic acid, compound with octadecylamine (1:1)
cas: 94042-67-8
formula: C18H39N.C18H34O2
inchikey: SNYNFOXIGQIWMC-SVMKZPJVSA-N
norman_susdat_id: NS00091976
smiles: CCCCCCCCCCCCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C18H39N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Tributyl[(p-tert-butylbenzoyl)oxy]stannane
cas: 94042-69-0
dtxsid: DTXSID90240352
formula: C23H40O2Sn
inchikey: YSMNPCUUJJDTNG-UHFFFAOYSA-M
norman_susdat_id: NS00063565
pubchem_cid: 16684545
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C1=CC=C(C=C1)C(C)(C)C
inchi:
InChI=1/C11H14O2.3C4H9.Sn/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;3*1-3-4-2;/h4-7H,1-3H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC23H40O2Sn/c1-7-10-17-26(18-11-8-2,19-12-9-3)25-22(24)20-13-15-21(16-14-20)23(4,5)6/h13-16H,7-12,17-19H2,1-6H3


name: 4,4'-bis[[4-(3-chloro-2-hydroxypropoxy)phenyl]azo]stilbene-2,2'-disulphonic acid
cas: 94042-70-3
formula: C32H30Cl2N4O10S2
inchikey: YKVXKZMMZRLTAE-IXORUJLASA-N
norman_susdat_id: NS00064962
pubchem_cid: 44146867
smiles: O=S(=O)(O)C1=CC(N=NC2=CC=C(OCC(O)CCl)C=C2)=CC=C1C=CC3=CC=C(N=NC4=CC=C(OCC(O)CCl)C=C4)C=C3S(=O)(=O)O
inchi:
InChI=1/C32H30Cl2N4O10S2/c33-17-27(39)19-47-29-11-7-23(8-12-29)35-37-25-5-3-21(31(15-25)49(41,42)43)1-2-22-4-6-26(16-32(22)50(44,45)46)38-36-24-9-13-30(14-10-24)48-20-28(40)18-34/h1-16,27-28,39-40H,17-20H2,(H,41,42,43)(H,44,45,46)


cas: 94042-71-4
formula: C29H25ClN8O10S2
inchikey: BHGNFXPZZLKIDV-UHFFFAOYSA-N
norman_susdat_id: NS00063566
pubchem_cid: 11970903
name:
4-[[4-[[6-[3-(tert-butyl)phenoxy]-4-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C29H25ClN8O10S2/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)

smiles:
O=C(O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)OC4=CC=CC(=C4)C(C)(C)C)C5=CC=C(C=C5)S(=O)(=O)O


cas: 94042-72-5
formula: C23H20N4O9S3
inchikey: VRSOZYANKNDKQO-UHFFFAOYSA-N
norman_susdat_id: NS00091977
smiles: OS(=O)(=O)c4cc(C)ccc4NS(=O)(=O)c1ccc(cc1)N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O
name:
6-amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulphophenyl)amino]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C23H20N4O9S3/c1-13-2-9-19(21(10-13)39(34,35)36)27-37(29,30)16-6-4-15(5-7-16)25-26-23-18(24)8-3-14-11-17(38(31,32)33)12-20(28)22(14)23/h2-12,27-28H,24H2,1H3,(H,31,32,33)(H,34,35,36)


cas: 94042-73-6
formula: C25H20ClN9O13S4
inchikey: OHBPQSSYDJUTSH-UHFFFAOYSA-J
norman_susdat_id: NS00063567
pubchem_cid: 11971248
name:
Tetrasodium 2-[[4-chloro-6-[[3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate

inchi:
InChI=1/C25H20ClN9O13S4.4Na/c1-12-21(22(36)35(34-12)14-3-5-15(6-4-14)49(37,38)39)33-32-18-10-13(2-8-20(18)52(46,47)48)27-24-29-23(26)30-25(31-24)28-17-11-16(50(40,41)42)7-9-19(17)51(43,44)45;;;;/h2-11,21H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,28,29,30,31);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC(=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-]


cas: 94042-74-7
dtxsid: DTXSID50240353
formula: C27H21ClN8O10S3
inchikey: UYOWNJSHICAUHQ-UHFFFAOYSA-K
norman_susdat_id: NS00063724
pubchem_cid: NA
name:
Trisodium 3-[[2-(acetylamino)-4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C27H21ClN8O10S3.3Na/c1-14(37)29-22-12-16(31-27-33-25(28)32-26(34-27)30-15-5-8-18(9-6-15)47(38,39)40)7-10-21(22)36-35-17-11-20-19(24(13-17)49(44,45)46)3-2-4-23(20)48(41,42)43;;;/h2-13H,1H3,(H,29,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,30,31,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])C


cas: 94042-75-8
formula: C25H18ClN7O13S4
inchikey: SGFKIFOYZRJSKP-UHFFFAOYSA-J
norman_susdat_id: NS00063725
pubchem_cid: NA
name:
Tetrasodium 2-[[6-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(27-13-1-4-15(5-2-13)47(35,36)37)31-25(30-23)28-14-3-7-17-12(9-14)10-20(50(44,45)46)21(22(17)34)33-32-18-11-16(48(38,39)40)6-8-19(18)49(41,42)43;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC=3C=CC=4C(C3)=CC(=C(N=NC5=CC(=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-])C4O)S(=O)(=O)[O-]


name: 5-oxo-L-proline, compound with (E)-2-[3-(1-pyrrolidinyl)-1-(p-tolyl)prop-1-enyl]pyridine (1:1)
cas: 94042-78-1
formula: C19H22N2.C5H7NO3
inchikey: WPVOVAIIYRLDTK-PHDZUTJZSA-N
norman_susdat_id: NS00091978
smiles: Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3.OC(=O)[C@@H]4CCC(=O)N4
inchi:
InChI=1/C19H22N2.C5H7NO3/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;7-4-2-1-3(6-4)5(8)9/h2-3,6-12H,4-5,13-15H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Sodium 4-(perfluoro(3,4-dimethylhex-3-en-2-yloxy))benzene-1-sulfonate
cas: 94042-94-1
chemspiderid: 4896917
dtxsid: DTXSID60881130
formula: C14H5F15O4S1
inchikey: GZRNRYCQJMKNSM-UHFFFAOYSA-M
norman_susdat_id: NS00019332
pubchem_cid: 53438025
smiles: [Na+].[O-]S(=O)(=O)C1=CC=C(OC(F)(C(=C(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H5F15O4S/c15-9(16,13(24,25)26)7(11(18,19)20)8(12(21,22)23)10(17,14(27,28)29)33-5-1-3-6(4-2-5)34(30,31)32/h1-4H,(H,30,31,32)/b8-7+


name: Sodium 4-(perfluoro-2-(butan-2-yl)-3-ethyl-3-methylpent-1-en-1-yloxy)benzenesulfonate
cas: 94042-95-2
chemspiderid: 4896919
dtxsid: DTXSID20881131
formula: C18H5F23O4S1
inchikey: VFPWQVQGSDBHJW-UHFFFAOYSA-M
norman_susdat_id: NS00019333
pubchem_cid: 53438023
inchi:
InChI=1S/C18H5F23O4S/c19-8(45-5-1-3-6(4-2-5)46(42,43)44)7(10(20,15(30,31)32)13(25,26)18(39,40)41)9(14(27,28)29,11(21,22)16(33,34)35)12(23,24)17(36,37)38/h1-4H,(H,42,43,44)/b8-7+

smiles:
[Na+].[O-]S(=O)(=O)C1=CC=C(OC(F)=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C=C1


name: Oleic acid, compound with 2-(2-aminoethoxy)ethanol (1:1)
cas: 94042-97-4
formula: C18H34O2.C4H11NO2
inchikey: PNYOBDNDCAGSHY-KVVVOXFISA-N
norman_susdat_id: NS00091998
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCOCCO
inchi:
InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1-3-7-4-2-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,1-5H2


name: Oleic acid, compound with 4-ethylmorpholine (1:1)
cas: 94042-98-5
formula: C18H34O2.C6H13NO
inchikey: WWGUJZMJZZFOLZ-KVVVOXFISA-N
norman_susdat_id: NS00091999
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCN1CCOCC1
inchi:
InChI=1/C18H34O2.C6H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-3-5-8-6-4-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-6H2,1H3


name: Diethylammonium 2-(2,4,5-trichlorophenoxy)propionate
cas: 94042-99-6
formula: C9H7Cl3O3.C4H11N
inchikey: PEVCDHZCDOUELN-UHFFFAOYSA-N
norman_susdat_id: NS00092000
smiles: CC[NH2+]CC.CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-]
inchi:
InChI=1/C9H7Cl3O3.C4H11N/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;1-3-5-4-2/h2-4H,1H3,(H,13,14);5H,3-4H2,1-2H3


name: Octyl 2-(2,4,5-trichlorophenoxy)propionate
cas: 94043-00-2
dtxsid: DTXSID90916601
formula: C17H23Cl3O3
inchikey: OFXFXKNVHYPBEB-UHFFFAOYSA-N
norman_susdat_id: NS00063593
pubchem_cid: 3023382
smiles: O=C(OCCCCCCCC)C(OC1=CC(Cl)=C(Cl)C=C1Cl)C
inchi:
InChI=1/C17H23Cl3O3/c1-3-4-5-6-7-8-9-22-17(21)12(2)23-16-11-14(19)13(18)10-15(16)20/h10-12H,3-9H2,1-2H3


name: Nonyl 2-(2,4-dichlorophenoxy)propionate
cas: 94043-02-4
dtxsid: DTXSID80916599
formula: C18H26Cl2O3
inchikey: ZOFCXNALVXQDEJ-UHFFFAOYSA-N
norman_susdat_id: NS00064158
pubchem_cid: 3023384
smiles: O=C(OCCCCCCCCC)C(OC1=CC=C(Cl)C=C1Cl)C
inchi:
InChI=1/C18H26Cl2O3/c1-3-4-5-6-7-8-9-12-22-18(21)14(2)23-17-11-10-15(19)13-16(17)20/h10-11,13-14H,3-9,12H2,1-2H3


name: Hexyl 2-(2,4-dichlorophenoxy)propionate
cas: 94043-03-5
dtxsid: DTXSID20916598
formula: C15H20Cl2O3
inchikey: QHJAMKPDUDVZKT-UHFFFAOYSA-N
norman_susdat_id: NS00065010
pubchem_cid: 3023385
smiles: O=C(OCCCCCC)C(OC1=CC=C(Cl)C=C1Cl)C
inchi:
InChI=1/C15H20Cl2O3/c1-3-4-5-6-9-19-15(18)11(2)20-14-8-7-12(16)10-13(14)17/h7-8,10-11H,3-6,9H2,1-2H3


name: Nonyl 2-(4-chloro-2-methylphenoxy)propionate
cas: 94043-04-6
dtxsid: DTXSID60916597
formula: C19H29ClO3
inchikey: VMZHHUIAVZRZKL-UHFFFAOYSA-N
norman_susdat_id: NS00064159
pubchem_cid: 3023386
smiles: O=C(OCCCCCCCCC)C(OC1=CC=C(Cl)C=C1C)C
inchi:
InChI=1/C19H29ClO3/c1-4-5-6-7-8-9-10-13-22-19(21)16(3)23-18-12-11-17(20)14-15(18)2/h11-12,14,16H,4-10,13H2,1-3H3


name: Octadecyl hydrogen (R-(R*,R*))-tartrate
cas: 94043-05-7
chemspiderid: 57523548
dtxsid: DTXSID30240356
formula: C22H42O6
inchikey: DINYUMTWTRUPAS-WOJBJXKFSA-N
norman_susdat_id: NS00039943
pubchem_cid: 56841350
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(O)C(O)C(=O)O
inchi:
InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-22(27)20(24)19(23)21(25)26/h19-20,23-24H,2-18H2,1H3,(H,25,26)/t19-,20-/m1/s1


name: Sorbitan, tri-10-undecenoate
cas: 94043-07-9
chemspiderid: NA
dtxsid: DTXSID50240358
formula: C39H66O8
inchikey: WQLFZTYACWPFGS-UDKDVIIMSA-N
norman_susdat_id: NS00039944
pubchem_cid: 44153331
smiles: OC[C@@H](OC(=O)CCCCCCCCC=C)[C@H]1OC[C@H](OC(=O)CCCCCCCCC=C)[C@H]1OC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C39H66O8/c1-4-7-10-13-16-19-22-25-28-35(41)45-33(31-40)38-39(47-37(43)30-27-24-21-18-15-12-9-6-3)34(32-44-38)46-36(42)29-26-23-20-17-14-11-8-5-2/h4-6,33-34,38-40H,1-3,7-32H2/t33-,34+,38-,39-/m1/s1


name: 2-[4-(6-chloroquinoxaline-2-yl-oxy)phenoxy]propanoic acid, (2R)-
cas: 94051-08-8
chebiid: CHEBI:137507
chemspiderid: 4588401
dtxsid: DTXSID2041387
formula: C17H13Cl1N2O4
inchikey: ABOOPXYCKNFDNJ-SNVBAGLBSA-N
norman_susdat_id: NS00001776
pubchem_cid: 5484172
smiles: C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O
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)/t10-/m1/s1


name: (nonylphenyl) hydrogen phosphonate
cas: 94060-69-2
dtxsid: DTXSID40916595
formula: C15H25O3P
inchikey: DMQDNQAYBUPHBC-UHFFFAOYSA-N
norman_susdat_id: NS00064160
pubchem_cid: NA
smiles: O=P(O)OC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C15H25O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)18-19(16)17/h9-10,12-13,19H,2-8,11H2,1H3,(H,16,17)


cas: 94061-68-4
dtxsid: DTXSID80240361
formula: C48H32Cl4N14O26P2S6
inchikey: KBTNGNZPSMWUQA-UHFFFAOYSA-D
norman_susdat_id: NS00066750
pubchem_cid: NA
name:
Octasodium 6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C48H32Cl4N14O26P2S6.8Na/c49-29-32-36(92-34-22(58-32)8-10-24(38(34)96(76,77)78)56-26-12-14-28(42(100(88,89)90)40(26)98(82,83)84)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(16-18)94(70,71)72)30(50)31-35(29)91-33-21(57-31)7-9-23(37(33)95(73,74)75)55-25-11-13-27(41(99(85,86)87)39(25)97(79,80)81)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(15-17)93(67,68)69;;;;;;;;/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66);;;;;;;;/q;8*+1/p-10

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=P([O-])([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(NC4=CC=C5N=C6C(Cl)=C7OC8=C(N=C7C(Cl)=C6OC5=C4S(=O)(=O)[O-])C=CC(NC9=CC=C(NC=%10N=C(Cl)N=C(N%10)NC%11=CC=CC(=C%11)P(=O)([O-])[O-])C(=C9S(=O)(=O)[O-])S(=O)(=O)[O-])=C8S(=O)(=O)[O-])C(=C3S(=O)(=O)[O-])S(=O)(=O)[O-]


name: N-Icosyl-D-gluconamide
cas: 94070-87-8
chemspiderid: 21166596
dtxsid: DTXSID40240362
formula: C26H53N1O6
inchikey: ZKRPDBYWAWVRTB-ZKGSSEMHSA-N
norman_susdat_id: NS00039947
pubchem_cid: 44147631
smiles: CCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C26H53NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-26(33)25(32)24(31)23(30)22(29)21-28/h22-25,28-32H,2-21H2,1H3,(H,27,33)/t22-,23-,24+,25-/m1/s1


name: N-Hexadec-7-en-1-yl-D-gluconamide
cas: 94070-88-9
chemspiderid: 21166597
dtxsid: DTXSID00240363
formula: C22H43N1O6
inchikey: QEUIGPGHVGGFQM-UGPOCSOWSA-N
norman_susdat_id: NS00039948
pubchem_cid: 44145248
smiles: CCCCCCCCC=CCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C22H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22(29)21(28)20(27)19(26)18(25)17-24/h9-10,18-21,24-28H,2-8,11-17H2,1H3,(H,23,29)/b10-9+/t18-,19-,20+,21-/m1/s1


cas: 94070-90-3
formula: C45H88N3O2
inchikey: JVGDJSIDYJEIRF-LQDDAWAPSA-N
norman_susdat_id: NS00063775
pubchem_cid: NA
smiles: O=C(NCCC[N+](C)(CC)CCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OCC
name:
Ethyl (Z,Z)-ethyl(methyl)[3-[(1-oxo-9-octadecenyl)amino]propyl][3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium sulphate

inchi:
InChI=1/C45H87N3O2.C2H6O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-44(49)46-40-36-42-48(4,7-3)43-37-41-47-45(50)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2-6-7(3,4)5/h20-23H,5-19,24-43H2,1-4H3,(H-,46,47,49,50);2H2,1H3,(H,3,4,5)


name: 2-methyl-4-(octahydro-4,7-dimethyl-1H-inden-5-yl)cyclohexyl acetate
cas: 94070-94-7
dtxsid: DTXSID60916592
formula: C20H34O2
inchikey: RKDRNMSALFFMRS-UHFFFAOYSA-N
norman_susdat_id: NS00064179
pubchem_cid: 25076577
smiles: O=C(OC1CCC(CC1C)C2CC(C)C3CCCC3C2C)C
inchi:
InChI=1/C20H34O2/c1-12-11-19(14(3)18-7-5-6-17(12)18)16-8-9-20(13(2)10-16)22-15(4)21/h12-14,16-20H,5-11H2,1-4H3


name: N-D-Gluconoyl-L-cystine
cas: 94070-99-2
chemspiderid: 57523551
dtxsid: DTXSID60240364
formula: C12H22N2O10S2
inchikey: IQXOUVZUQZFPAW-RKOJMGJASA-N
norman_susdat_id: NS00039949
pubchem_cid: 44145971
smiles: 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
inchi:
InChI=1S/C12H22N2O10S2/c13-4(11(21)22)2-25-26-3-5(12(23)24)14-10(20)9(19)8(18)7(17)6(16)1-15/h4-9,15-19H,1-3,13H2,(H,14,20)(H,21,22)(H,23,24)/t4-,5-,6+,7+,8-,9+/m0/s1


name: N2-D-Gluconoyl-L-lysine
cas: 94071-00-8
chemspiderid: 31149897
dtxsid: DTXSID20240365
formula: C12H24N2O8
inchikey: YWBDHWNCZICEAK-LOLPMWEVSA-N
norman_susdat_id: NS00039950
pubchem_cid: 44150501
smiles: NCCCC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
inchi:
InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(21)22)14-11(20)10(19)9(18)8(17)7(16)5-15/h6-10,15-19H,1-5,13H2,(H,14,20)(H,21,22)/t6-,7+,8+,9-,10+/m0/s1


name: N6-D-Gluconoyl-L-lysine
cas: 94071-01-9
chemspiderid: 31149896
dtxsid: DTXSID80240366
formula: C12H24N2O8
inchikey: FBVIZNUUKKOZQB-LOLPMWEVSA-N
norman_susdat_id: NS00039951
pubchem_cid: 44148914
smiles: N[C@@H](CCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
inchi:
InChI=1S/C12H24N2O8/c13-6(12(21)22)3-1-2-4-14-11(20)10(19)9(18)8(17)7(16)5-15/h6-10,15-19H,1-5,13H2,(H,14,20)(H,21,22)/t6-,7+,8+,9-,10+/m0/s1


name: N2,N6-Di-D-gluconoyl-L-lysine
cas: 94071-02-0
chemspiderid: 34997475
dtxsid: DTXSID40240367
formula: C18H34N2O14
inchikey: KIKVLMJAIJTXBU-RUGJADPBSA-N
norman_susdat_id: NS00039952
pubchem_cid: 44153819
inchi:
InChI=1S/C18H34N2O14/c21-5-8(23)10(25)12(27)14(29)16(31)19-4-2-1-3-7(18(33)34)20-17(32)15(30)13(28)11(26)9(24)6-22/h7-15,21-30H,1-6H2,(H,19,31)(H,20,32)(H,33,34)/t7-,8+,9+,10+,11+,12-,13-,14+,15+/m0/s1

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


name: N-D-Gluconoyl-L-cysteine
cas: 94071-03-1
chemspiderid: 8036790
dtxsid: DTXSID00240368
formula: C9H17N1O8S1
inchikey: CRUSWOCJZFSQPD-CXNFULCWSA-N
norman_susdat_id: NS00039953
pubchem_cid: 9861091
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)N[C@@H](CS)C(O)=O
inchi:
InChI=1S/C9H17NO8S/c11-1-4(12)5(13)6(14)7(15)8(16)10-3(2-19)9(17)18/h3-7,11-15,19H,1-2H2,(H,10,16)(H,17,18)/t3-,4+,5+,6-,7+/m0/s1


name: N-(2-Aminophenyl)-D-gluconamide
cas: 94071-04-2
chemspiderid: 21166603
dtxsid: DTXSID60240369
formula: C12H18N2O6
inchikey: GAJMSPIFEDMQCT-CHWFTXMASA-N
norman_susdat_id: NS00039954
pubchem_cid: 44150216
smiles: NC1=CC=CC=C1NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C12H18N2O6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5,13H2,(H,14,20)/t8-,9-,10+,11-/m1/s1


name: N2-D-Gluconoyl-N5-((D-gluconoylamino)iminomethyl)-L-ornithine
cas: 94071-05-3
chemspiderid: 34997474
dtxsid: DTXSID70240370
formula: C18H34N4O14
inchikey: VNCUMKMJEPBQEQ-RUGJADPBSA-N
norman_susdat_id: NS00039955
pubchem_cid: 44148703
inchi:
InChI=1S/C18H34N4O14/c23-4-8(25)10(27)12(29)14(31)16(33)21-7(18(35)36)2-1-3-19-6-20-22-17(34)15(32)13(30)11(28)9(26)5-24/h6-15,23-32H,1-5H2,(H,19,20)(H,21,33)(H,22,34)(H,35,36)/t7-,8-,9-,10+,11-,12-,13+,14-,15+/m1/s1

smiles:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NNC=NCCC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O


name: N-D-Gluconoyl-L-valine
cas: 94071-06-4
chemspiderid: 6216477
dtxsid: DTXSID30240371
formula: C11H21N1O8
inchikey: ARPJJMSZXXSGRQ-QKCLAQEOSA-N
norman_susdat_id: NS00039956
pubchem_cid: 7909380
smiles: CC(C)[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
inchi:
InChI=1S/C11H21NO8/c1-4(2)6(11(19)20)12-10(18)9(17)8(16)7(15)5(14)3-13/h4-9,13-17H,3H2,1-2H3,(H,12,18)(H,19,20)/t5-,6+,7-,8+,9-/m1/s1


name: (E)-[2-[3-[5-(acetylamino)-2-hydroxyphenyl]-3-oxo-1-propenyl]phenoxy]acetic acid
cas: 94071-10-0
formula: C19H17NO6
inchikey: BNGGSJJCUYVTHW-SOFGYWHQSA-N
norman_susdat_id: NS00062449
pubchem_cid: 6366380
smiles: O=C(O)COC=1C=CC=CC1C=CC(=O)C2=CC(=CC=C2O)NC(=O)C
inchi:
InChI=1/C19H17NO6/c1-12(21)20-14-7-9-17(23)15(10-14)16(22)8-6-13-4-2-3-5-18(13)26-11-19(24)25/h2-10,23H,11H2,1H3,(H,20,21)(H,24,25)


name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-butanol
cas: 94071-13-3
dtxsid: DTXSID70916588
formula: C15H20N2O
inchikey: JGXRNUZQPOXGCW-UHFFFAOYSA-N
norman_susdat_id: NS00062450
pubchem_cid: 149107
smiles: OCCCCC1NCCC=2C=3C=CC=CC3NC21
inchi:
InChI=1/C15H20N2O/c18-10-4-3-7-14-15-12(8-9-16-14)11-5-1-2-6-13(11)17-15/h1-2,5-6,14,16-18H,3-4,7-10H2


name: 4-(Hexyloxy)naphthalene-1-carboxamide
cas: 94071-18-8
chemspiderid: 2289612
dtxsid: DTXSID90240377
formula: C17H21N1O2
inchikey: QFYXNEUZWKCCEN-UHFFFAOYSA-N
norman_susdat_id: NS00039958
pubchem_cid: 3023394
smiles: CCCCCCOc1ccc(C(=O)N)c2ccccc12
inchi:
InChI=1S/C17H21NO2/c1-2-3-4-7-12-20-16-11-10-15(17(18)19)13-8-5-6-9-14(13)16/h5-6,8-11H,2-4,7,12H2,1H3,(H2,18,19)


name: 2-decyl-3-hydroxytetradecanoic acid
cas: 94071-21-3
dtxsid: DTXSID90916585
formula: C24H48O3
inchikey: NRUVALJAGRJLKU-UHFFFAOYSA-N
norman_susdat_id: NS00063933
pubchem_cid: 3023395
smiles: O=C(O)C(CCCCCCCCCC)C(O)CCCCCCCCCCC
inchi:
InChI=1/C24H48O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)22(24(26)27)20-18-16-14-12-10-8-6-4-2/h22-23,25H,3-21H2,1-2H3,(H,26,27)


name: Methyl 2-decyl-3-hydroxytetradecanoate
cas: 94071-22-4
dtxsid: DTXSID30916584
formula: C25H50O3
inchikey: WENUEWXDPUUADB-UHFFFAOYSA-N
norman_susdat_id: NS00062724
pubchem_cid: 3023396
smiles: O=C(OC)C(CCCCCCCCCC)C(O)CCCCCCCCCCC
inchi:
InChI=1/C25H50O3/c1-4-6-8-10-12-14-16-18-20-22-24(26)23(25(27)28-3)21-19-17-15-13-11-9-7-5-2/h23-24,26H,4-22H2,1-3H3


name: Methyl 2-hexadecyl-3-hydroxyicosanoate
cas: 94071-23-5
dtxsid: DTXSID70916583
formula: C37H74O3
inchikey: AZBYGKBIIOPZCG-UHFFFAOYSA-N
norman_susdat_id: NS00062888
pubchem_cid: 3023397
smiles: O=C(OC)C(CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H74O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(38)35(37(39)40-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35-36,38H,4-34H2,1-3H3


name: 1,1,1,7,7,7-hexamethyl-3,5-bis[(trimethylsilyl)oxy]-3,5-divinyltetrasiloxane
cas: 94071-24-6
dtxsid: DTXSID50240378
formula: C16H42O5Si6
inchikey: OKRHFHKKGAYXRF-UHFFFAOYSA-N
norman_susdat_id: NS00062889
pubchem_cid: 44153199
smiles: O([Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C=C
inchi:
InChI=1/C16H42O5Si6/c1-15-26(17-22(3,4)5,18-23(6,7)8)21-27(16-2,19-24(9,10)11)20-25(12,13)14/h15-16H,1-2H2,3-14H3


cas: 94071-25-7
dtxsid: DTXSID10916582
formula: C16H42NO4Si3
inchikey: OHSRJYCSRANJSR-UHFFFAOYSA-M
norman_susdat_id: NS00062725
pubchem_cid: 44154354
smiles: O=C([O-])C.OC(COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)C[N+](C)(C)C
name:
2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propyltrimethylammonium acetate

inchi:
InChI=1/C16H42NO4Si3.C2H4O2/c1-17(2,3)14-16(18)15-19-12-11-13-24(10,20-22(4,5)6)21-23(7,8)9;1-2(3)4/h16,18H,11-15H2,1-10H3;1H3,(H,3,4)/q+1;/p-1


name: Lithium 3-[[(2-hydroxyethyl)amino]carbonyl]pentadecenoate
cas: 94086-41-6
formula: C18H33NO4
inchikey: BODYYTGYFYYBSY-UHFFFAOYSA-M
norman_susdat_id: NS00062890
pubchem_cid: 53436744
smiles: [Li+].O=C([O-])C=C(C(=O)NCCO)CCCCCCCCCCCC
inchi:
InChI=1/C18H33NO4.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16(15-17(21)22)18(23)19-13-14-20;/h15,20H,2-14H2,1H3,(H,19,23)(H,21,22);/q;+1/p-1


cas: 94086-52-9
formula: C15H23N6O5S.2C7H8O3S.HO4S
inchikey: AILGAWFYXHXVFT-SPWYAPBOSA-K
norman_susdat_id: NS00091276
name:
(S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine sulphate bis(toluene-p-sulphonate)

inchi:
InChI=1/C15H22N6O5S.2C7H8O3S.H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*2-5H,1H3,(H,8,9,10);(H2,1,2,3,4)/p-3

smiles:
C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.Cc4ccc(cc4)S(=O)(=O)[O-].Cc5ccc(cc5)S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]


cas: 94086-53-0
formula: C23H16Cl2O9S
inchikey: GNKCWVPIWVNYKN-UHFFFAOYSA-N
norman_susdat_id: NS00091277
smiles: OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)c(ccc2Cl)S(O)(=O)=O)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O
name:
5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorosulphophenyl)methyl]-3-methylsalicylic acid

inchi:
InChI=1/C23H16Cl2O9S/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)


name: Zinc octadecylbenzenesulphonate
cas: 94086-54-1
formula: C24H40O3S.1/2Zn
inchikey: YCFMFWQDRBVJCH-UHFFFAOYSA-L
norman_susdat_id: NS00091883
smiles: [Zn+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C24H42O3S.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2


name: 2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 94086-56-3
formula: C21H37O7P
inchikey: DVNZKWQUAXJYGB-PDBXOOCHSA-N
norman_susdat_id: NS00062915
pubchem_cid: 20833812
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)


name: 3-(phosphonooxy)-1,2-propanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]
cas: 94086-57-4
chebiid: CHEBI:171916
formula: C39H65O8P
inchikey: SCTIGCPAHAZQNF-YTWBPVBXSA-N
norman_susdat_id: NS00063934
pubchem_cid: 9547160
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C39H65O8P/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/h5-8,11-14,17-20,37H,3-4,9-10,15-16,21-36H2,1-2H3,(H2,42,43,44)


name: Copper tetrapropenylsuccinate
cas: 94086-58-5
formula: C16H28O4.Cu
inchikey: YKOPUPIARNQPGE-YAAIJISTSA-L
norman_susdat_id: NS00091278
smiles: [Cu+2].[O-]C(=O)C(\C=C\C)(\C=C\C)C(/C=C\C)(\C=C\C)C(=O)[O-]
inchi:
InChI=1/C16H22O4.Cu/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;/h5-12H,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2


name: Calcium (tetrapropenyl)succinate
cas: 94086-59-6
formula: C16H28O4.Ca
inchikey: MREFIUWWWJGVMD-UHFFFAOYSA-L
norman_susdat_id: NS00091140
smiles: [Ca+2].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O
inchi:
InChI=1/C16H22O4.Ca/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;/h5-12H,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2


name: Disodium (tetrapropenyl)succinate
cas: 94086-60-9
formula: C16H28O4.2Na
inchikey: KOHOFWNHOIRZQM-UHFFFAOYSA-L
norman_susdat_id: NS00091884
smiles: [Na+].[Na+].[O-]C(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C([O-])=O
inchi:
InChI=1/C16H22O4.2Na/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


cas: 94086-61-0
formula: C48H32Cl4N14O26P2S6.8H3N
inchikey: DBMKUJWCUGZFKY-UHFFFAOYSA-L
norman_susdat_id: NS00093454
name:
Octaammonium 6,13-dichloro-3,10-bis[[4-[[4-chloro-6-[(3-phosphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C48H32Cl4N14O26P2S6.8H3N/c49-29-32-36(92-34-22(58-32)8-10-24(38(34)96(76,77)78)56-26-12-14-28(42(100(88,89)90)40(26)98(82,83)84)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(16-18)94(70,71)72)30(50)31-35(29)91-33-21(57-31)7-9-23(37(33)95(73,74)75)55-25-11-13-27(41(99(85,86)87)39(25)97(79,80)81)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(15-17)93(67,68)69;;;;;;;;/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66);8*1H3/p-2

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])c1cccc(Nc2nc(Cl)nc(Nc3ccc(Nc4ccc5N=C6C(=C7Oc8c(ccc(Nc9ccc(Nc%10nc(Cl)nc(Nc%11cccc(c%11)P(=O)([O-])[O-])n%10)c(c9S(=O)(=O)[O-])S(=O)(=O)[O-])c8S(=O)(=O)[O-])N=C7C(=C6Oc5c4S(=O)(=O)[O-])Cl)Cl)c(c3S(=O)(=O)[O-])S(=O)(=O)[O-])n2)c1


name: Undecenoic acid, compound with 2-aminobutan-1-ol (1:1)
cas: 94086-67-6
formula: C11H20O2.C4H11NO
inchikey: DOAAAMDFRRJVCP-UHFFFAOYSA-N
norman_susdat_id: NS00091155
smiles: OC(=O)C=CCCCCCCCC.CCC(N)CO
inchi:
InChI=1/C11H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4(5)3-6/h9-10H,2-8H2,1H3,(H,12,13);4,6H,2-3,5H2,1H3


name: Azelaic acid, compound with piperazine-1,4-diethanol
cas: 94086-68-7
formula: C9H16O4.xC8H18N2O2
inchikey: HEKPIWDFFDIPBX-UHFFFAOYSA-N
norman_susdat_id: NS00091897
smiles: OCCN1CCN(CCO)CC1.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C8H18N2O2/c10-8(11)6-4-2-1-3-5-7-9(12)13;11-7-5-9-1-2-10(4-3-9)6-8-12/h1-7H2,(H,10,11)(H,12,13);11-12H,1-8H2


name: 4-Acetyl-N-octadecylbenzamide
cas: 94086-69-8
chemspiderid: 2289617
dtxsid: DTXSID90240392
formula: C27H45N1O2
inchikey: LUQUURAOAYAMAU-UHFFFAOYSA-N
norman_susdat_id: NS00039959
pubchem_cid: 3023401
smiles: CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)C
inchi:
InChI=1S/C27H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-27(30)26-21-19-25(20-22-26)24(2)29/h19-22H,3-18,23H2,1-2H3,(H,28,30)


name: Undecanoic acid, compound with 1-aminopropan-2-ol (1:1)
cas: 94086-75-6
formula: C11H22O2.C3H9NO
inchikey: SGPMUPKYHZPOOE-UHFFFAOYSA-N
norman_susdat_id: NS00091395
smiles: CCCCCCCCCCC(=O)O.CC(O)CN
inchi:
InChI=1/C11H22O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3(5)2-4/h2-10H2,1H3,(H,12,13);3,5H,2,4H2,1H3


name: Isopropyl 4-(4-(N,N-bis(2-hydroxyethyl)amino)phenyl)butyrate
cas: 94086-78-9
chemspiderid: 2289620
dtxsid: DTXSID90240397
formula: C17H27N1O4
inchikey: QDRCRYJKFQEJNJ-UHFFFAOYSA-N
norman_susdat_id: NS00039962
pubchem_cid: 3023404
smiles: CC(C)OC(=O)CCCc1ccc(cc1)N(CCO)CCO
inchi:
InChI=1S/C17H27NO4/c1-14(2)22-17(21)5-3-4-15-6-8-16(9-7-15)18(10-12-19)11-13-20/h6-9,14,19-20H,3-5,10-13H2,1-2H3


name: Diethyl[2-hydroxy-3-(tetradecyloxy)propyl)[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 94086-80-3
dtxsid: DTXSID60916572
formula: C27H54NO4
inchikey: MWDVKZPXJYZJAK-UHFFFAOYSA-M
norman_susdat_id: NS00062755
pubchem_cid: 3023405
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)COCCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C27H54NO4.ClH/c1-6-9-10-11-12-13-14-15-16-17-18-19-21-31-24-26(29)23-28(7-2,8-3)20-22-32-27(30)25(4)5;/h26,29H,4,6-24H2,1-3,5H3;1H/q+1;/p-1


name: [3-(dodecyloxy)-2-hydroxypropyl]diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 94086-81-4
dtxsid: DTXSID00916571
formula: C25H50NO4
inchikey: HALQYYLIBACXCS-UHFFFAOYSA-M
norman_susdat_id: NS00062939
pubchem_cid: 3023407
smiles: [Cl-].O=C(OCC[N+](CC)(CC)CC(O)COCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C25H50NO4.ClH/c1-6-9-10-11-12-13-14-15-16-17-19-29-22-24(27)21-26(7-2,8-3)18-20-30-25(28)23(4)5;/h24,27H,4,6-22H2,1-3,5H3;1H/q+1;/p-1


name: 4-Hydroxy-7-((4-(((2-methoxyethoxy)carbonyl)amino)phenyl)amino)naphthalene-2-sulphonic acid
cas: 94086-83-6
chemspiderid: 2289625
dtxsid: DTXSID60240400
formula: C20H20N2O7S1
inchikey: VENWPTHVICQAMM-UHFFFAOYSA-N
norman_susdat_id: NS00039964
pubchem_cid: 3023409
smiles: COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)O)cc1
inchi:
InChI=1S/C20H20N2O7S/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27)


name: Sodium 4-hydroxy-7-[4-[(2-methoxyethoxycarbonyl)amino]anilino]naphthalene-2-sulphonate
cas: 94086-84-7
formula: C20H20N2O7S.Na
inchikey: CPQGLDFUDXMDOR-UHFFFAOYSA-M
norman_susdat_id: NS00091898
smiles: [Na+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C20H20N2O7S.Na/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1


name: Potassium 4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]naphthalene-2-sulphonate
cas: 94086-85-8
formula: C20H20N2O7S.K
inchikey: WWSXUNHFFFGEME-UHFFFAOYSA-M
norman_susdat_id: NS00091899
smiles: [K+].COCCOC(=O)Nc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C20H20N2O7S.K/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1


name: 1,5-Diamino-4-hydroxy-8-(methylamino)anthraquinone
cas: 94086-86-9
chemspiderid: 17334128
dtxsid: DTXSID40240403
formula: C15H13N3O3
inchikey: GILFHASBSONWCJ-UHFFFAOYSA-N
norman_susdat_id: NS00039965
pubchem_cid: 16205948
smiles: CNc1c2C(=O)c3c(c(O)ccc3N)C(=O)c2c(N)cc1
inchi:
InChI=1S/C15H13N3O3/c1-18-8-4-2-6(16)10-12(8)14(20)11-7(17)3-5-9(19)13(11)15(10)21/h2-5,18-19H,16-17H2,1H3


name: m-[(3-amino-4-hydroxyphenyl)azo]benzenesulphonic acid
cas: 94086-87-0
formula: C12H11N3O4S
inchikey: KAIXUKQIBZNQND-UHFFFAOYSA-N
norman_susdat_id: NS00062756
pubchem_cid: 3023412
smiles: O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(O)C(N)=C2)C1
inchi:
InChI=1/C12H11N3O4S/c13-11-7-9(4-5-12(11)16)15-14-8-2-1-3-10(6-8)20(17,18)19/h1-7,16H,13H2,(H,17,18,19)


name: 3-[[3-[(2,4-dihydroxyphenyl)azo]-4-hydroxyphenyl]azo]benzenesulphonic acid
cas: 94086-88-1
formula: C18H14N4O6S
inchikey: NBCDLQXSUBYGEE-UHFFFAOYSA-N
norman_susdat_id: NS00062757
pubchem_cid: 3023413
smiles: O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(O)C=C3O)=C2)C1
inchi:
InChI=1/C18H14N4O6S/c23-13-5-6-15(18(25)10-13)21-22-16-9-12(4-7-17(16)24)20-19-11-2-1-3-14(8-11)29(26,27)28/h1-10,23-25H,(H,26,27,28)


name: (p-dodecylbenzyl)diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 94086-89-2
dtxsid: DTXSID40916570
formula: C29H50NO2
inchikey: NEOOMTBMVQHLAS-UHFFFAOYSA-M
norman_susdat_id: NS00062940
pubchem_cid: 3023414
smiles: [Cl-].O=C(OCC[N+](CC1=CC=C(C=C1)CCCCCCCCCCCC)(CC)CC)C(=C)C
inchi:
InChI=1/C29H50NO2.ClH/c1-6-9-10-11-12-13-14-15-16-17-18-27-19-21-28(22-20-27)25-30(7-2,8-3)23-24-32-29(31)26(4)5;/h19-22H,4,6-18,23-25H2,1-3,5H3;1H/q+1;/p-1


name: (p-dodecylbenzyl)diethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 94086-90-5
dtxsid: DTXSID30916569
formula: C28H48NO2
inchikey: VIQPWVDEZNSQBN-UHFFFAOYSA-M
norman_susdat_id: NS00062941
pubchem_cid: 3023416
smiles: [Cl-].O=C(OCC[N+](CC1=CC=C(C=C1)CCCCCCCCCCCC)(CC)CC)C=C
inchi:
InChI=1/C28H48NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-26-19-21-27(22-20-26)25-29(7-3,8-4)23-24-31-28(30)6-2;/h6,19-22H,2,5,7-18,23-25H2,1,3-4H3;1H/q+1;/p-1


name: Diethyl[2-(methacryloyloxy)ethyl]tetradecylammonium bromide
cas: 94086-91-6
dtxsid: DTXSID70916568
formula: C24H48NO2
inchikey: DCJUIBDMRSNSFJ-UHFFFAOYSA-M
norman_susdat_id: NS00062942
pubchem_cid: 21149778
smiles: [Br-].O=C(OCC[N+](CC)(CC)CCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C24H48NO2.BrH/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-25(7-2,8-3)21-22-27-24(26)23(4)5;/h4,6-22H2,1-3,5H3;1H/q+1;/p-1


name: [2-(acryloyloxy)ethyl]diethyltetradecylammonium bromide
cas: 94086-92-7
dtxsid: DTXSID10916567
formula: C23H46NO2
inchikey: VMVXKFHCRREBKW-UHFFFAOYSA-M
norman_susdat_id: NS00062943
pubchem_cid: 21149780
smiles: [Br-].O=C(OCC[N+](CC)(CC)CCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C23H46NO2.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24(7-3,8-4)21-22-26-23(25)6-2;/h6H,2,5,7-22H2,1,3-4H3;1H/q+1;/p-1


name: Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate
cas: 94086-95-0
formula: C10H20NO2.CH3O4S
inchikey: TUMYMSZWMLOIRB-UHFFFAOYSA-M
norman_susdat_id: NS00091900
smiles: COS(=O)(=O)[O-].CC(C[N+](C)(C)C)OC(=O)C(=C)C
inchi:
InChI=1/C10H20NO2.CH4O4S/c1-8(2)10(12)13-9(3)7-11(4,5)6;1-5-6(2,3)4/h9H,1,7H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1


name: Diethylmethyl[2-[(1-oxoallyl)oxy]propyl]ammonium methyl sulphate
cas: 94086-96-1
dtxsid: DTXSID30916564
formula: C11H21NO2
inchikey: WMMQONALUHBHLM-UHFFFAOYSA-N
norman_susdat_id: NS00062476
pubchem_cid: 3023422
smiles: O=C(OC(C)C[NH2+]C(CC)CC)C=C.O=S(=O)([O-])OC
inchi:
InChI=1/C11H21NO2.CH4O4S/c1-5-10(6-2)12-8-9(4)14-11(13)7-3;1-5-6(2,3)4/h7,9-10,12H,3,5-6,8H2,1-2,4H3;1H3,(H,2,3,4)


name: Benzyldimethyl[methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 94086-97-2
dtxsid: DTXSID70916563
formula: C16H24NO2
inchikey: QFAMIUUOKOEDJN-UHFFFAOYSA-M
norman_susdat_id: NS00062759
pubchem_cid: 3023423
smiles: [Cl-].O=C(OCC(C)[N+](C)(C)CC=1C=CC=CC1)C(=C)C
inchi:
InChI=1/C16H24NO2.ClH/c1-13(2)16(18)19-12-14(3)17(4,5)11-15-9-7-6-8-10-15;/h6-10,14H,1,11-12H2,2-5H3;1H/q+1;/p-1


name: ((9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino)benzenesulphonic acid
cas: 94087-00-0
chemspiderid: 2286604
dtxsid: DTXSID20240406
formula: C20H13N1O7S1
inchikey: WEFQTBBVPISSDD-UHFFFAOYSA-N
norman_susdat_id: NS00039966
pubchem_cid: 3019358
smiles: OC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(O)C(NC2=CC=CC=C2S(O)(=O)=O)=C1
inchi:
InChI=1S/C20H13NO7S/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24/h1-9,21-22,25H,(H,26,27,28)


cas: 94087-01-1
chemspiderid: 10144638
dtxsid: DTXSID80240407
formula: C23H14Cl2N6O11S3
inchikey: YRNUPSNVSKOQIZ-UHFFFAOYSA-N
norman_susdat_id: NS00039967
pubchem_cid: 11971257
name:
5-Amino-8-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracenedisulphonic acid

inchi:
InChI=1S/C23H14Cl2N6O11S3/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)19(33)15-9(18(16)32)2-6-13(43(34,35)36)20(15)45(40,41)42/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31)

smiles:
NC1=C2C(=O)C3=C(C(=O)C2=C(NC2=CC(=C(NC4=NC(Cl)=NC(Cl)=N4)C=C2)S(O)(=O)=O)C=C1)C(=C(C=C3)S(O)(=O)=O)S(O)(=O)=O


name: Sodium N-[2-[[2-hydroxyethyl]amino]ethyl]-N-(1-oxotetradecyl)glycinate
cas: 94087-03-3
dtxsid: DTXSID40240408
formula: C20H40N2O4
inchikey: KJGKTVJIUNIWDM-UHFFFAOYSA-M
norman_susdat_id: NS00062778
pubchem_cid: 44149467
smiles: [Na+].O=C([O-])CN(C(=O)CCCCCCCCCCCCC)CCNCCO
inchi:
InChI=1/C20H40N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)22(18-20(25)26)16-14-21-15-17-23;/h21,23H,2-18H2,1H3,(H,25,26);/q;+1/p-1


name: Sodium N-[2-[(2-hydroxyethyl)(1-oxododecyl)amino]ethyl]glycinate
cas: 94087-04-4
dtxsid: DTXSID00240409
formula: C18H36N2O4
inchikey: ONCSWUZFPLDPTJ-UHFFFAOYSA-M
norman_susdat_id: NS00062779
pubchem_cid: 44151964
smiles: [Na+].O=C([O-])CNCCN(C(=O)CCCCCCCCCCC)CCO
inchi:
InChI=1/C18H36N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-17(22)20(14-15-21)13-12-19-16-18(23)24;/h19,21H,2-16H2,1H3,(H,23,24);/q;+1/p-1


name: Tricosanoic acid, aluminium salt
cas: 94087-10-2
formula: C23H46O2.1/3Al
inchikey: WHAWRTJGVDALBI-UHFFFAOYSA-M
norman_susdat_id: NS00091911
smiles: [Al+3].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C23H46O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2-22H2,1H3,(H,24,25);/q;+3/p-1


name: Sodium (Z)-N-[2-[(2-hydroxyethyl)(1-oxo-9-octadecenyl)amino]ethyl]glycinate
cas: 94087-11-3
formula: C24H46N2O4
inchikey: MMVRYQHLZLIJHK-KVVVOXFISA-M
norman_susdat_id: NS00062504
pubchem_cid: 44147250
smiles: [Na+].O=C([O-])CNCCN(C(=O)CCCCCCCC=CCCCCCCCC)CCO
inchi:
InChI=1/C24H46N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26(20-21-27)19-18-25-22-24(29)30;/h9-10,25,27H,2-8,11-22H2,1H3,(H,29,30);/q;+1/p-1


name: 1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
cas: 94087-12-4
formula: C20H25N4O2
inchikey: WDUGHFIWKOUANY-LSJACRKWSA-M
norman_susdat_id: NS00064004
pubchem_cid: 44151087
smiles: N#CC(=CC(=O)OCC[N+]1(C=NC=C1)C)C2=CC=C(C=C2)N(CC)CC.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 94087-13-5
formula: C20H25N4O2
inchikey: MZGVPGWUOCLKRY-NYAKATHWSA-M
norman_susdat_id: NS00062505
pubchem_cid: NA
smiles: N#CC(=CC1=CC=C(C=C1)N(CC)CC)C(=O)OCC[N+]2(C=NC=C2)C.O=C([O-])C(CC)CCCC
name:
1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]acryloyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate

inchi:
InChI=1/C20H25N4O2.C8H16O2/c1-4-23(5-2)19-8-6-17(7-9-19)14-18(15-21)20(25)26-13-12-24(3)11-10-22-16-24;1-3-5-6-7(4-2)8(9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1


name: 1-[2-[[ß-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
cas: 94087-16-8
formula: C18H21N4O2
inchikey: ZUESHFKQWIFBSO-CLNHMMGSSA-M
norman_susdat_id: NS00062963
pubchem_cid: NA
smiles: N#CC(=CC(=O)OCC[N+]1(C=NC=C1)C)C2=CC=C(C=C2)N(C)C.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C18H21N4O2.C7H8O3S/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,12,14H,10-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 1-[2-[[ß-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate
cas: 94087-17-9
formula: C18H21N4O2.C8H15O2
inchikey: WMMYRNVGHNFJLL-CLNHMMGSSA-M
norman_susdat_id: NS00091922
smiles: CCCCC(CC)C(=O)[O-].CN(C)c1ccc(cc1)\C(=C\C(=O)OCC[N+]2(C)C=CN=C2)\C#N
inchi:
InChI=1/C18H21N4O2.C8H16O2/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-3-5-6-7(4-2)8(9)10/h4-9,12,14H,10-11H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1


name: 7-(7-dodecenyl)quinolin-8-ol
cas: 94087-19-1
formula: C21H29NO
inchikey: HUUKLNYZHHNMTB-UHFFFAOYSA-N
norman_susdat_id: NS00062506
pubchem_cid: 3023425
smiles: OC=1C2=NC=CC=C2C=CC1CCCCCCC=CCCCC
inchi:
InChI=1/C21H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-19-16-15-18-14-12-17-22-20(18)21(19)23/h5-6,12,14-17,23H,2-4,7-11,13H2,1H3


name: 2-(((1,2-Benzisothiazol-3-yloxy)methyl)cyclohexylamino)ethanol
cas: 94087-26-0
chemspiderid: 21166637
dtxsid: DTXSID10240415
formula: C16H22N2O2S1
inchikey: ANWMSCHRMRJYNM-UHFFFAOYSA-N
norman_susdat_id: NS00039971
pubchem_cid: 53446854
smiles: OCCN(COc1nsc2ccccc12)C1CCCCC1
inchi:
InChI=1S/C16H22N2O2S/c19-11-10-18(13-6-2-1-3-7-13)12-20-16-14-8-4-5-9-15(14)21-17-16/h4-5,8-9,13,19H,1-3,6-7,10-12H2


name: Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)
cas: 94087-42-0
formula: C8H6O4.2C3H6N6
inchikey: HGXSXPWOOWFPMQ-UHFFFAOYSA-N
norman_susdat_id: NS00092360
smiles: Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)c3ccccc3C(=O)O
inchi:
InChI=1/C8H6O4.2C3H6N6/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*4-1-7-2(5)9-3(6)8-1/h1-4H,(H,9,10)(H,11,12);2*(H6,4,5,6,7,8,9)


name: Disodium dihydrogen [(octylimino)bis(methylene)]bisphosphonate
cas: 94087-48-6
formula: C10H25NO6P2.2Na
inchikey: AYAHNBSQGCKBAL-UHFFFAOYSA-J
norman_susdat_id: NS00092361
smiles: [Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.2Na/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: Disodium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94087-49-7
formula: C10H25NO6P2.2Na
inchikey: RLZMAOVRGDAMRH-UHFFFAOYSA-J
norman_susdat_id: NS00092362
smiles: [Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.2Na/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: Trisodium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94087-50-0
formula: C10H25NO6P2.3Na
inchikey: BLKOZPKUYQOOFQ-UHFFFAOYSA-J
norman_susdat_id: NS00092048
smiles: [Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3Na/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: Tetrasodium [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94087-51-1
formula: C10H25NO6P2.4Na
inchikey: FPTUECMJLWWTSF-UHFFFAOYSA-J
norman_susdat_id: NS00092363
smiles: [Na+].[Na+].[Na+].[Na+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4Na/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: Disodium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94087-52-2
formula: C14H33NO6P2.2Na
inchikey: UOEAAHDDFGCGEC-UHFFFAOYSA-J
norman_susdat_id: NS00092113
smiles: [Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.2Na/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: Disodium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94087-53-3
formula: C11H27NO6P2.2Na
inchikey: KOCVQJZDKXHOBW-UHFFFAOYSA-J
norman_susdat_id: NS00092114
smiles: [Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.2Na/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: Tetrasodium [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94087-55-5
formula: C11H27NO6P2.4Na
inchikey: QHAFCOFPFIVMIV-UHFFFAOYSA-J
norman_susdat_id: NS00092115
smiles: [Na+].[Na+].[Na+].[Na+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.4Na/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: Tetrasodium [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94087-56-6
formula: C5H15NO6P2.4Na
inchikey: RCFQWXPAIFRWGT-UHFFFAOYSA-J
norman_susdat_id: NS00092767
smiles: [Na+].[Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4Na/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


cas: 94087-60-2
chemspiderid: 2289643
dtxsid: DTXSID90240433
formula: C33H45Cl2N3O4
inchikey: XUAJUKQKJZJNMQ-UHFFFAOYSA-N
norman_susdat_id: NS00039980
pubchem_cid: 3023431
smiles: CCCCCCCCCCCCCCc1c(OCCOC(=O)NC2=NN(C(=O)C2)c2cc(Cl)ccc2)cc(C)c(Cl)c1
name:
2-(4-Chloro-5-methyl-2-tetradecylphenoxy)ethyl (1-(3-chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)carbamate

inchi:
InChI=1S/C33H45Cl2N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-26-22-29(35)25(2)21-30(26)41-19-20-42-33(40)36-31-24-32(39)38(37-31)28-18-15-17-27(34)23-28/h15,17-18,21-23H,3-14,16,19-20,24H2,1-2H3,(H,36,37,40)


name: 1-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-1-oxohexadecane-2-sulphonic acid
cas: 94087-61-3
dtxsid: DTXSID70916548
formula: C23H37N3O5S
inchikey: KXLNPBBGUOLIEI-UHFFFAOYSA-N
norman_susdat_id: NS00064361
pubchem_cid: 3023432
smiles: O=C1NNC2=CC(=CC=C12)NC(=O)C(CCCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C23H37N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(32(29,30)31)23(28)24-18-15-16-19-20(17-18)25-26-22(19)27/h15-17,21H,2-14H2,1H3,(H,24,28)(H2,25,26,27)(H,29,30,31)


cas: 94087-62-4
formula: C49H61N5O11S2
inchikey: CQTIVIYWHIHFHD-UHFFFAOYSA-M
norman_susdat_id: NS00064811
pubchem_cid: 3023434
name:
Sodium 5-[[5-(benzoylamino)-2-[[1-(4-ethoxy-3-sulphophenyl)-3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-4-yl]azo]phenyl]sulphonyl]salicylate

inchi:
InChI=1/C49H61N5O11S2.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-45-49(3,48(59)54(52-45)37-27-31-42(65-5-2)44(33-37)67(62,63)64)53-51-40-29-26-36(50-46(56)35-23-20-19-21-24-35)32-43(40)66(60,61)38-28-30-41(55)39(34-38)47(57)58;/h19-21,23-24,26-34,55H,4-18,22,25H2,1-3H3,(H,50,56)(H,57,58)(H,62,63,64);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=CC(=CC=C1O)S(=O)(=O)C2=CC(=CC=C2N=NC3(C(=O)N(N=C3CCCCCCCCCCCCCCCCC)C4=CC=C(OCC)C(=C4)S(=O)(=O)O)C)NC(=O)C=5C=CC=CC5


name: Sodium 3-[[1,3-dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulphonate
cas: 94087-63-5
formula: C34H50N2O7S.Na
inchikey: ZJJOYZKVLDQRKD-UHFFFAOYSA-M
norman_susdat_id: NS00092365
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)[O-]
inchi:
InChI=1/C34H50N2O7S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2;/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42);/q;+1/p-1


cas: 94087-64-6
dtxsid: DTXSID10916547
formula: C36H47ClN4O7
inchikey: WKBYPAHBIDBSQC-UHFFFAOYSA-N
norman_susdat_id: NS00064812
pubchem_cid: 3023436
smiles: O=C(OC)C1=CN(C(=O)N1)C(C(=O)NC2=CC(=CC=C2Cl)NC(=O)CCCOC3=CC=C(C=C3C(C)(C)C)C(C)(C)C)C(=O)C(C)(C)C
name:
Methyl 1-[1-[[5-[[4-(2,4-di-tert-butylphenoxy)butyryl]amino]-2-chlorophenyl]carbamoyl]-3,3-dimethyl-2-oxobutyl]-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate

inchi:
InChI=1/C36H47ClN4O7/c1-34(2,3)21-13-16-27(23(18-21)35(4,5)6)48-17-11-12-28(42)38-22-14-15-24(37)25(19-22)39-31(44)29(30(43)36(7,8)9)41-20-26(32(45)47-10)40-33(41)46/h13-16,18-20,29H,11-12,17H2,1-10H3,(H,38,42)(H,39,44)(H,40,46)


name: 2-Amino-1,5-dihydro-1-tetradecyl-4H-imidazol-4-one
cas: 94087-70-4
chemspiderid: 2289654
dtxsid: DTXSID60240440
formula: C17H33N3O1
inchikey: XAUQFULFIOXQEE-UHFFFAOYSA-N
norman_susdat_id: NS00039986
pubchem_cid: 3023442
smiles: CCCCCCCCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(21)19-17(20)18/h2-15H2,1H3,(H2,18,19,21)


name: 2-Amino-1-hexadecyl-1,5-dihydro-4H-imidazol-4-one
cas: 94087-71-5
chemspiderid: 2289655
dtxsid: DTXSID20240441
formula: C19H37N3O1
inchikey: WQUXMLDVJYFLLN-UHFFFAOYSA-N
norman_susdat_id: NS00039987
pubchem_cid: 3023443
smiles: CCCCCCCCCCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C19H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18(23)21-19(22)20/h2-17H2,1H3,(H2,20,21,23)


name: 2-Amino-1,5-dihydro-1-octadecyl-4H-imidazol-4-one
cas: 94087-74-8
chemspiderid: 2289658
dtxsid: DTXSID00240444
formula: C21H41N3O1
inchikey: BGDNOTJTWDMFQU-UHFFFAOYSA-N
norman_susdat_id: NS00039990
pubchem_cid: 3023446
smiles: CCCCCCCCCCCCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C21H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(25)23-21(24)22/h2-19H2,1H3,(H2,22,23,25)


name: 5-Decylpyrimidine-2,4,6-triamine
cas: 94087-75-9
chemspiderid: 2289659
dtxsid: DTXSID60240445
formula: C14H27N5
inchikey: XQXHRYUWXYVBJH-UHFFFAOYSA-N
norman_susdat_id: NS00039991
pubchem_cid: 3023447
smiles: CCCCCCCCCCc1c(N)nc(N)nc1N
inchi:
InChI=1S/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12(15)18-14(17)19-13(11)16/h2-10H2,1H3,(H6,15,16,17,18,19)


name: 5-Dodecylpyrimidine-2,4,6-triamine
cas: 94087-76-0
chemspiderid: 2289660
dtxsid: DTXSID20240446
formula: C16H31N5
inchikey: PEPWLMWLJXTXFM-UHFFFAOYSA-N
norman_susdat_id: NS00039992
pubchem_cid: 3023448
smiles: CCCCCCCCCCCCc1c(N)nc(N)nc1N
inchi:
InChI=1S/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21)


name: 5-Tetradecylpyrimidine-2,4,6-triamine
cas: 94087-77-1
chemspiderid: 2289661
dtxsid: DTXSID80240447
formula: C18H35N5
inchikey: ZYBZGAVYYLHNQK-UHFFFAOYSA-N
norman_susdat_id: NS00039993
pubchem_cid: 3023449
smiles: CCCCCCCCCCCCCCc1c(N)nc(N)nc1N
inchi:
InChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)22-18(21)23-17(15)20/h2-14H2,1H3,(H6,19,20,21,22,23)


name: 5-Hexadecylpyrimidine-2,4,6-triamine
cas: 94087-80-6
chemspiderid: 2289662
dtxsid: DTXSID10240450
formula: C20H39N5
inchikey: GQBIKMHPZBVLEE-UHFFFAOYSA-N
norman_susdat_id: NS00039995
pubchem_cid: 3023450
smiles: CCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N
inchi:
InChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)24-20(23)25-19(17)22/h2-16H2,1H3,(H6,21,22,23,24,25)


name: 5-Octadecylpyrimidine-2,4,6-triamine
cas: 94087-81-7
chemspiderid: 2289663
dtxsid: DTXSID70240451
formula: C22H43N5
inchikey: KVTOOFXLYHKXCK-UHFFFAOYSA-N
norman_susdat_id: NS00039996
pubchem_cid: 3023451
smiles: CCCCCCCCCCCCCCCCCCc1c(N)nc(N)nc1N
inchi:
InChI=1S/C22H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)26-22(25)27-21(19)24/h2-18H2,1H3,(H6,23,24,25,26,27)


name: (Z)-5-(9-octadecenyl)pyrimidine-2,4,6-triamine
cas: 94087-82-8
formula: C22H41N5
inchikey: ANCABTZYMUVLBC-KTKRTIGZSA-N
norman_susdat_id: NS00064285
pubchem_cid: 20836302
smiles: N=1C(=NC(N)=C(C1N)CCCCCCCCC=CCCCCCCCC)N
inchi:
InChI=1/C22H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)26-22(25)27-21(19)24/h9-10H,2-8,11-18H2,1H3,(H6,23,24,25,26,27)


name: Ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate
cas: 94087-88-4
formula: C20H44N.C12H14ClO
inchikey: YWQPWMACFVDNRR-UHFFFAOYSA-M
norman_susdat_id: NS00092401
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1C2CCCCC2
inchi:
InChI=1/C20H44N.C12H15ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h5-20H2,1-4H3;6-9,14H,1-5H2/q+1;/p-1


name: Calcium bis[D-galacturonate]
cas: 94087-89-5
chebiid: CHEBI:81119
formula: C6H10O7.1/2Ca
inchi: InChI=1/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2
inchikey: ILJIJWPWFKABMW-PDCYBDDKSA-L
norman_susdat_id: NS00092070
smiles:
[Ca+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]


name: 1-[2-(2-hydroxyethoxy)ethoxy]octadecan-2-ol
cas: 94087-91-9
dtxsid: DTXSID50916546
formula: C22H46O4
inchikey: ZRPMKCRNMKWTGW-UHFFFAOYSA-N
norman_susdat_id: NS00065613
pubchem_cid: 3023455
smiles: OCCOCCOCC(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(24)21-26-20-19-25-18-17-23/h22-24H,2-21H2,1H3


name: Bis(oxiranylmethyl) p-phenylenebiscarbamate
cas: 94087-92-0
dtxsid: DTXSID90916545
formula: C14H16N2O6
inchikey: GZOVIASQAALYNB-UHFFFAOYSA-N
norman_susdat_id: NS00064287
pubchem_cid: 12472437
smiles: O=C(OCC1OC1)NC2=CC=C(C=C2)NC(=O)OCC3OC3
inchi:
InChI=1/C14H16N2O6/c17-13(21-7-11-5-19-11)15-9-1-2-10(4-3-9)16-14(18)22-8-12-6-20-12/h1-4,11-12H,5-8H2,(H,15,17)(H,16,18)


name: 9-Chloro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
cas: 94087-96-4
chemspiderid: 21166658
dtxsid: DTXSID90240458
formula: C22H29Cl1O3
inchikey: HFTXHRFCLJJTGL-UBEYTQJUSA-N
norman_susdat_id: NS00040000
pubchem_cid: 44146449
smiles: CC1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)CC(O)[C@]2(Cl)[C@@]2(C)C=CC(=O)C=C12
inchi:
InChI=1S/C22H29ClO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3/t12-,15+,16-,18-,19+,20+,21-,22-/m0/s1


name: 6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
cas: 94087-99-7
dtxsid: DTXSID70916543
formula: C28H31F2NO6
inchikey: HBLWCWSTOFNBPO-STSYBKACSA-N
norman_susdat_id: NS00064288
pubchem_cid: 71430893
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C=5C=CN=CC5)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H31F2NO6/c1-15-10-18-19-12-21(29)20-11-17(32)4-7-25(20,2)27(19,30)22(33)13-26(18,3)28(15,36)23(34)14-37-24(35)16-5-8-31-9-6-16/h4-9,11,15,18-19,21-22,33,36H,10,12-14H2,1-3H3


name: Disodium isoflupredone 21-phosphate
cas: 94088-00-3
chemspiderid: 21166660
dtxsid: DTXSID60240460
formula: C21H28F1O8P1
inchikey: RJCHGSGXNBHMRH-PNOXNERVSA-L
norman_susdat_id: NS00040001
pubchem_cid: 44148023
smiles: [Na+].[Na+].C[C@]12CC(O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O
inchi:
InChI=1S/C21H28FO8P/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(26,17(25)11-30-31(27,28)29)19(14,2)10-16(24)21(15,18)22/h5,7,9,14-16,24,26H,3-4,6,8,10-11H2,1-2H3,(H2,27,28,29)/t14-,15+,16-,18+,19-,20+,21-/m1/s1


name: (1-carboxyethylidene)-2-ethoxybenzohydrazide, compound with 2,2'-iminodiethanol (1:1)
cas: 94088-01-4
dtxsid: DTXSID10916542
formula: C12H14N2O4
inchikey: UVFQEZVXBRLCJH-UHFFFAOYSA-N
norman_susdat_id: NS00064847
pubchem_cid: 30025
smiles: O=C(O)C(=NNC(=O)C=1C=CC=CC1OCC)C.OCCNCCO
inchi:
InChI=1/C12H14N2O4.C4H11NO2/c1-3-18-10-7-5-4-6-9(10)11(15)14-13-8(2)12(16)17;6-3-1-5-2-4-7/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17);5-7H,1-4H2


name: N-[2-[[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]thio]-1-oxopropyl]glycine
cas: 94088-02-5
dtxsid: DTXSID50916541
formula: C14H17N5O6S
inchikey: ALIAQOABEFSRDU-UHFFFAOYSA-N
norman_susdat_id: NS00064289
pubchem_cid: 3023457
smiles: O=C(O)CNC(=O)C(SC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C
inchi:
InChI=1/C14H17N5O6S/c1-7(12(23)15-4-8(20)21)26-9(22)5-19-6-16-11-10(19)13(24)18(3)14(25)17(11)2/h6-7H,4-5H2,1-3H3,(H,15,23)(H,20,21)


name: Bis(2-((2-methyl-1-oxoallyl)oxy)ethyl) 4,6-bis(chloroformyl)isophthalate
cas: 94088-04-7
chemspiderid: 2289668
dtxsid: DTXSID20240461
formula: C22H20Cl2O10
inchikey: HHADMXONRFLIKP-UHFFFAOYSA-N
norman_susdat_id: NS00040002
pubchem_cid: 3023459
smiles: CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)OCCOC(=O)C(=C)C)c(cc1C(=O)Cl)C(=O)Cl
inchi:
InChI=1S/C22H20Cl2O10/c1-11(2)19(27)31-5-7-33-21(29)15-10-16(14(18(24)26)9-13(15)17(23)25)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3


name: Bis(2-((2-methyl-1-oxoallyl)oxy)ethyl) 2,5-bis(chloroformyl)terephthalate
cas: 94088-05-8
chemspiderid: 2289669
dtxsid: DTXSID80240462
formula: C22H20Cl2O10
inchikey: SCQIJALTNRNFIM-UHFFFAOYSA-N
norman_susdat_id: NS00040003
pubchem_cid: 3023460
smiles: CC(=C)C(=O)OCCOC(=O)c1cc(C(=O)Cl)c(cc1C(=O)Cl)C(=O)OCCOC(=O)C(=C)C
inchi:
InChI=1S/C22H20Cl2O10/c1-11(2)19(27)31-5-7-33-21(29)15-9-14(18(24)26)16(10-13(15)17(23)25)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3


name: ß-D-glucopyranuronic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 94088-15-0
formula: C6H10O7.C4H11NO2
inchikey: GTUOTJRKYVNWGI-YXUDEUAMSA-N
norman_susdat_id: NS00092071
smiles: OCCNCCO.O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
inchi:
InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;6-3-1-5-2-4-7/h1-4,6-9,12H,(H,10,11);5-7H,1-4H2


name: 2,2'-Methylenebis(5-bromo-5-nitro-1,3-dioxane)
cas: 94088-16-1
chemspiderid: 21166662
dtxsid: DTXSID00240464
formula: C9H12Br2N2O8
inchikey: IKKTUSZWZQTPMM-UHFFFAOYSA-N
norman_susdat_id: NS00040004
pubchem_cid: 44151852
smiles: [O-][N+](=O)C1(Br)COC(CC2OCC(Br)(CO2)[N+](=O)[O-])OC1
inchi:
InChI=1S/C9H12Br2N2O8/c10-8(12(14)15)2-18-6(19-3-8)1-7-20-4-9(11,5-21-7)13(16)17/h6-7H,1-5H2/t6-,7-,8-,9+


name: Undec-10-enoic acid, compound with diethylamine (1:1)
cas: 94088-17-2
formula: C11H20O2.C4H11N
inchikey: HFNLVNNKPNQWNG-UHFFFAOYSA-N
norman_susdat_id: NS00092403
smiles: CCNCC.OC(=O)CCCCCCCCC=C
inchi:
InChI=1/C11H20O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-3-5-4-2/h2H,1,3-10H2,(H,12,13);5H,3-4H2,1-2H3


name: 1,1'-[(3,7-dimethyl-6-octenylidene)bis(oxymethylene)]bisbenzene
cas: 94088-37-6
dtxsid: DTXSID30916529
formula: C24H32O2
inchikey: UFVIUXYEJWOMIA-UHFFFAOYSA-N
norman_susdat_id: NS00064345
pubchem_cid: 44151851
smiles: O(CC=1C=CC=CC1)C(OCC=2C=CC=CC2)CC(C)CCC=C(C)C
inchi:
InChI=1/C24H32O2/c1-20(2)11-10-12-21(3)17-24(25-18-22-13-6-4-7-14-22)26-19-23-15-8-5-9-16-23/h4-9,11,13-16,21,24H,10,12,17-19H2,1-3H3


name: 1-methylethane-1,2-diyl cyclohexane-1,2-dicarboxylate
cas: 94088-40-1
dtxsid: DTXSID70916528
formula: C19H28O8
inchikey: JUHNWETULOPXFP-UHFFFAOYSA-M
norman_susdat_id: NS00064346
pubchem_cid: 101531189
smiles: O=C([O-])C1CCCCC1C(=O)OC(C)COC(=O)C2CCCCC2C(=O)O
inchi:
InChI=1/C19H28O8/c1-11(27-19(25)15-9-5-3-7-13(15)17(22)23)10-26-18(24)14-8-4-2-6-12(14)16(20)21/h11-15H,2-10H2,1H3,(H,20,21)(H,22,23)/p-1


name: Sodium 2,3-dihydro-a-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate
cas: 94088-41-2
dtxsid: DTXSID10916527
formula: C12H14N2O5S
inchikey: QSWGFQRUXYZFIS-UHFFFAOYSA-M
norman_susdat_id: NS00065641
pubchem_cid: NA
smiles: [Na+].O=C1C(=C(N(N1C=2C=CC=CC2)C)C)C(O)S(=O)(=O)[O-]
inchi:
InChI=1/C12H14N2O5S.Na/c1-8-10(12(16)20(17,18)19)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7,12,16H,1-2H3,(H,17,18,19);/q;+1/p-1


name: 2,6-Bis(phenylmethoxy)benzonitrile
cas: 94088-47-8
chemspiderid: 2289680
dtxsid: DTXSID30240472
formula: C21H17N1O2
inchikey: VMVKBYOKFOFDOD-UHFFFAOYSA-N
norman_susdat_id: NS00040009
pubchem_cid: 3023483
smiles: N#Cc1c(OCc2ccccc2)cccc1OCc1ccccc1
inchi:
InChI=1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2


name: (Z)-2-amino-1,5-dihydro-1-(9-octadecenyl)-4H-imidazol-4-one
cas: 94088-48-9
formula: C21H39N3O
inchikey: UFDZRWXZNOXKCS-KTKRTIGZSA-N
norman_susdat_id: NS00064347
pubchem_cid: 3023484
smiles: O=C1N=C(N)N(C1)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20(25)23-21(24)22/h9-10H,2-8,11-19H2,1H3,(H2,22,23,25)


name: 3,3'-(Carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulphonic) acid
cas: 94088-49-0
chemspiderid: 21166669
dtxsid: DTXSID90240473
formula: C31H30Cl2N6O9S2
inchikey: MKKXLCRLLZFQSR-NFSGFYSESA-N
norman_susdat_id: NS00040010
pubchem_cid: NA
inchi:
InChI=1S/C31H30Cl2N6O9S2/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46)/b38-36+,39-37+

smiles:
CCOC1=C(NC(=O)NC2=C(OCC)C=C(N=NC3=CC(=C(Cl)C=C3)S(O)(=O)=O)C(C)=C2)C=C(C)C(=C1)N=NC1=CC(=C(Cl)C=C1)S(O)(=O)=O


cas: 94088-50-3
formula: C29H25ClN6O8S
inchikey: FTKOABBAIOOXDP-UHFFFAOYSA-N
norman_susdat_id: NS00064445
pubchem_cid: NA
smiles: O=C(O)C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC(=C(N=NC4=CC=C(Cl)C(=C4)S(=O)(=O)O)C=C3OCC)C)=CC=C1O
name:
5-[[4-[[[[4-[(4-chloro-3-sulphophenyl)azo]-2-ethoxy-5-methylphenyl]amino]carbonyl]amino]phenyl]azo]salicylic acid

inchi:
InChI=1/C29H25ClN6O8S/c1-3-44-26-15-23(36-35-20-8-10-22(30)27(14-20)45(41,42)43)16(2)12-24(26)32-29(40)31-17-4-6-18(7-5-17)33-34-19-9-11-25(37)21(13-19)28(38)39/h4-15,37H,3H2,1-2H3,(H,38,39)(H2,31,32,40)(H,41,42,43)


name: Sodium 2-[[(2-oleoylethyl)amino]carbonyl]benzoate
cas: 94088-52-5
formula: C28H43NO4
inchikey: DIXVAIQSJHDFAV-KVVVOXFISA-M
norman_susdat_id: NS00064362
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)NCCC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(30)22-23-29-27(31)25-20-17-18-21-26(25)28(32)33;/h9-10,17-18,20-21H,2-8,11-16,19,22-23H2,1H3,(H,29,31)(H,32,33);/q;+1/p-1


cas: 94088-53-6
formula: C40H38N8O10
inchikey: NWPSXVRZFXEAPH-UHFFFAOYSA-N
norman_susdat_id: NS00064446
pubchem_cid: 71430934
name:
2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[5-(acetylamino)benzoic] acid

inchi:
InChI=1/C40H38N8O10/c1-19-15-25(7-11-31(19)43-37(53)35(21(3)49)47-45-33-13-9-27(41-23(5)51)17-29(33)39(55)56)26-8-12-32(20(2)16-26)44-38(54)36(22(4)50)48-46-34-14-10-28(42-24(6)52)18-30(34)40(57)58/h7-18,35-36H,1-6H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,55,56)(H,57,58)

smiles:
O=C(O)C1=CC(=CC=C1N=NC(C(=O)NC2=CC=C(C=C2C)C=3C=CC(NC(=O)C(N=NC4=CC=C(C=C4C(=O)O)NC(=O)C)C(=O)C)=C(C3)C)C(=O)C)NC(=O)C


name: 4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone
cas: 94088-54-7
dtxsid: DTXSID50240474
formula: C42H72N2O12
inchikey: LZUIHANWEHANCW-UHFFFAOYSA-N
norman_susdat_id: NS00065661
pubchem_cid: 53425884
smiles: O=C1OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC1)CCOC(=O)CCCCCCCCC(=O)OCC2
inchi:
InChI=1/C42H72N2O12/c45-37-19-13-7-1-2-8-14-20-38(46)52-32-26-44-29-35-55-41(49)23-17-11-5-3-9-15-21-39(47)53-33-27-43(25-31-51-37)28-34-54-40(48)22-16-10-4-6-12-18-24-42(50)56-36-30-44/h1-36H2


name: Sodium 2-[(phenylsulphonyl)amino]benzoate
cas: 94088-58-1
dtxsid: DTXSID10240475
formula: C13H11NO4S
inchikey: WFIUDZBQRMFNGH-UHFFFAOYSA-M
norman_susdat_id: NS00064363
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1NS(=O)(=O)C=2C=CC=CC2
inchi:
InChI=1/C13H11NO4S.Na/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);/q;+1/p-1


name: 3-benzyl-1-decyl-4,5-dihydro-1H-imidazolium chloride
cas: 94088-59-2
dtxsid: DTXSID90916520
formula: C20H34N2
inchikey: YLYNHRUXTWGICK-UHFFFAOYSA-N
norman_susdat_id: NS00064364
pubchem_cid: NA
smiles: [Cl-].C=1C=CC(=CC1)CN2CC[NH+](C2)CCCCCCCCCC
inchi:
InChI=1/C20H34N2.ClH/c1-2-3-4-5-6-7-8-12-15-21-16-17-22(19-21)18-20-13-10-9-11-14-20;/h9-11,13-14H,2-8,12,15-19H2,1H3;1H


name: 1-benzyl-3-[[4-(diethylamino)phenyl]azo]-4-methyl-5-phenyl-1H-1,2,4-triazolium methyl sulphate
cas: 94088-61-6
formula: C26H30N6
inchikey: TXBYCIQJWGLANG-UHFFFAOYSA-N
norman_susdat_id: NS00064448
pubchem_cid: 25076581
smiles: O=S(=O)([O-])OC.N(=NC1=N[NH+](CC=2C=CC=CC2)C(C=3C=CC=CC3)N1C)C4=CC=C(C=C4)N(CC)CC
inchi:
InChI=1/C26H30N6.CH4O4S/c1-4-31(5-2)24-18-16-23(17-19-24)27-28-26-29-32(20-21-12-8-6-9-13-21)25(30(26)3)22-14-10-7-11-15-22;1-5-6(2,3)4/h6-19,25H,4-5,20H2,1-3H3;1H3,(H,2,3,4)


cas: 94088-62-7
formula: C31H30Cl2N6O9S2.2Na
inchikey: SSKJAJFMJACGGY-UHFFFAOYSA-L
norman_susdat_id: NS00092188
name:
Disodium 3,3'-[carbonylbis[imino(5-ethoxy-2-methyl-4,1-phenylene)azo]]bis[6-chlorobenzenesulphonate]

inchi:
InChI=1/C31H30Cl2N6O9S2.2Na/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46;;/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc4cc(OCC)c(NC(=O)Nc3cc(C)c(N=Nc2ccc(Cl)c(c2)S([O-])(=O)=O)cc3OCC)cc4C


name: 2'-(dibenzylamino)-6'-(dibutylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 94088-63-8
dtxsid: DTXSID80916519
formula: C42H42N2O3
inchikey: NKALOPUGCTYSOE-UHFFFAOYSA-N
norman_susdat_id: NS00064521
pubchem_cid: 44150384
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC=5C=CC=CC5)CC=6C=CC=CC6)N(CCCC)CCCC)C=7C=CC=CC17
inchi:
InChI=1/C42H42N2O3/c1-3-5-25-43(26-6-4-2)34-21-23-37-40(28-34)46-39-24-22-33(27-38(39)42(37)36-20-14-13-19-35(36)41(45)47-42)44(29-31-15-9-7-10-16-31)30-32-17-11-8-12-18-32/h7-24,27-28H,3-6,25-26,29-30H2,1-2H3


name: Cyclohexyl (4-(2-morpholinoethoxy)phenyl)carbamate monohydrochloride
cas: 94088-64-9
chemspiderid: 2289682
dtxsid: DTXSID30240477
formula: C19H28N2O4
inchikey: JGQKZMFKXLKHAZ-UHFFFAOYSA-N
norman_susdat_id: NS00040011
pubchem_cid: 91981071
smiles: Cl.O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC1CCCCC1
inchi:
InChI=1S/C19H28N2O4/c22-19(25-18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)24-15-12-21-10-13-23-14-11-21/h6-9,18H,1-5,10-15H2,(H,20,22)


name: Diethyl (2-chloro-5-nitrobenzoyl)malonate
cas: 94088-68-3
chemspiderid: 2289685
dtxsid: DTXSID60240480
formula: C14H14Cl1N1O7
inchikey: DGWXMMOJNMGHRO-UHFFFAOYSA-N
norman_susdat_id: NS00040014
pubchem_cid: 3023496
smiles: CCOC(=O)C(C(=O)OCC)C(=O)c1c(Cl)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C14H14ClNO7/c1-3-22-13(18)11(14(19)23-4-2)12(17)9-7-8(16(20)21)5-6-10(9)15/h5-7,11H,3-4H2,1-2H3


name: N-(4-Amino-2-chloro-5-phenoxyphenyl)acetamide
cas: 94088-69-4
chemspiderid: 2289686
dtxsid: DTXSID20240481
formula: C14H13Cl1N2O2
inchikey: ZLHSHNFQIFTFJK-UHFFFAOYSA-N
norman_susdat_id: NS00040015
pubchem_cid: 3023497
smiles: CC(=O)Nc1c(Cl)cc(N)c(Oc2ccccc2)c1
inchi:
InChI=1S/C14H13ClN2O2/c1-9(18)17-13-8-14(12(16)7-11(13)15)19-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)


name: Methyl 1-benzyl-4-oxopiperidine-3-carboxylate, sodium salt
cas: 94088-71-8
chemspiderid: 21166677
dtxsid: DTXSID40240483
formula: C14H17N1O3
inchikey: LHGQNWKTQRRMJC-UHFFFAOYSA-N
norman_susdat_id: NS00040016
pubchem_cid: 45789595
smiles: [Na+].COC(=O)C1CN(Cc2ccccc2)CCC1=O
inchi:
InChI=1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m0/s1


name: N-(2-Hydroxyethyl)-5-isobutyl-3-methoxysalicylamide
cas: 94088-72-9
chemspiderid: 2289687
dtxsid: DTXSID00240484
formula: C14H21N1O4
inchikey: DDAWESDWNNSGLI-UHFFFAOYSA-N
norman_susdat_id: NS00040017
pubchem_cid: 3023498
smiles: COc1c(O)c(cc(CC(C)C)c1)C(=O)NCCO
inchi:
InChI=1S/C14H21NO4/c1-9(2)6-10-7-11(14(18)15-4-5-16)13(17)12(8-10)19-3/h7-9,16-17H,4-6H2,1-3H3,(H,15,18)


name: Tris(2-hydroxyethyl)[2-(stearoylamino)ethyl]ammonium nitrate
cas: 94088-79-6
dtxsid: DTXSID40240488
formula: C26H55N2O4
inchikey: USKOGPJBMRKHDD-UHFFFAOYSA-O
norman_susdat_id: NS00064271
pubchem_cid: 3023500
smiles: O=C(NCC[N+](CCO)(CCO)CCO)CCCCCCCCCCCCCCCCC.O=[N+]([O-])[O-]
inchi:
InChI=1/C26H54N2O4.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)27-18-19-28(20-23-29,21-24-30)22-25-31;2-1(3)4/h29-31H,2-25H2,1H3;/q;-1/p+1


name: Trimethyl-3-((perfluorohexyl)ethylsulfonyl)aminopropylammonium iodide
cas: 94088-80-9
chemspiderid: 2302094
dtxsid: DTXSID80881132
formula: C14H20F13N2O2S1
inchikey: VZOYHPPUGXMIFV-UHFFFAOYSA-M
norman_susdat_id: NS00019334
pubchem_cid: 3038535
smiles: [I-].[H]N(CCC[N+](C)(C)C)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H20F13N2O2S/c1-29(2,3)7-4-6-28-32(30,31)8-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h28H,4-8H2,1-3H3/q+1


name: Tris(1-methylethyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
cas: 94088-82-1
dtxsid: DTXSID00916516
formula: C17H28O8
inchikey: USDPICIEGXFKEJ-UHFFFAOYSA-N
norman_susdat_id: NS00063918
pubchem_cid: 3023502
smiles: O=C(OC(C(=O)OC(C)C)(CC(=O)OC(C)C)CC(=O)OC(C)C)C
inchi:
InChI=1/C17H28O8/c1-10(2)22-14(19)8-17(25-13(7)18,16(21)24-12(5)6)9-15(20)23-11(3)4/h10-12H,8-9H2,1-7H3


name: 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate
cas: 94088-83-2
chemspiderid: 2289689
dtxsid: DTXSID10240490
formula: C23H46O4
inchikey: XVKLFAFJGQHUGZ-UHFFFAOYSA-N
norman_susdat_id: NS00040021
pubchem_cid: 6455786
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO
inchi:
InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(2,19-24)20-25/h24-25H,3-21H2,1-2H3


name: Hexadecyl 6-methylheptanoate
cas: 94088-84-3
dtxsid: DTXSID40916515
formula: C24H48O2
inchikey: OIKBVOIOVNEVJR-UHFFFAOYSA-N
norman_susdat_id: NS00063919
pubchem_cid: 528356
smiles: O=C(OCCCCCCCCCCCCCCCC)CCCCC(C)C
inchi:
InChI=1/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-24(25)21-18-17-20-23(2)3/h23H,4-22H2,1-3H3


name: Doxycycline (anhydrous)
cas: 94088-85-4
chemspiderid: 4444486
formula: C22H24N2O8
inchikey: UEVKMCOZLJYVNG-NMMSOKQRSA-N
norman_susdat_id: NS00005430
pubchem_cid: NA
smiles: C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(=C(/N)O)C(=O)[C@@]3(O)C(=O)C2=C(O)c2c(O)cccc12
inchi:
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3/b21-13-/t7-,10+,14+,15-,17-,22-/m0/s1


cas: 94088-86-5
chemspiderid: 21166681
dtxsid: DTXSID70240491
formula: C24H21Cl1N2O7S2
inchikey: MONDTVMBCMIXGR-NFBKMPQASA-N
norman_susdat_id: NS00040022
pubchem_cid: 44149906
smiles: CC(=O)OCC1=C(N2[C@H](SC1)C(NC(=O)Cc1cccs1)C2=O)C(=O)OCC(=O)c1ccc(Cl)cc1
name:
2-(p-Chlorophenyl)-2-oxoethyl (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

inchi:
InChI=1S/C24H21ClN2O7S2/c1-13(28)33-10-15-12-36-23-20(26-19(30)9-17-3-2-8-35-17)22(31)27(23)21(15)24(32)34-11-18(29)14-4-6-16(25)7-5-14/h2-8,20,23H,9-12H2,1H3,(H,26,30)/t20-,23+/m0/s1


name: 16alpha,17-Epoxypregna-4,9(11)-diene-3,20-dione
cas: 94088-90-1
chemspiderid: 21166682
dtxsid: DTXSID50240494
formula: C21H26O3
inchikey: IPXGZQHGJWTQTD-DFBUTHPASA-N
norman_susdat_id: NS00040023
pubchem_cid: 44154096
smiles: CC(=O)[C@@]12OC1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]21C
inchi:
InChI=1S/C21H26O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h7,10,15,17-18H,4-6,8-9,11H2,1-3H3/t15-,17+,18-,19+,20+,21-/m1/s1


name: 9beta,11beta-Epoxy-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione
cas: 94088-91-2
chemspiderid: 21166683
dtxsid: DTXSID10240495
formula: C21H26O6
inchikey: MJJGOAZIKWEYHG-APPPZISSSA-N
norman_susdat_id: NS00040024
pubchem_cid: 44149979
smiles: C[C@]12CC3O[C@]43[C@@H](CCC3=CC(=O)C=C[C@]43C)[C@@H]1CC(O)[C@]2(O)C(=O)CO
inchi:
InChI=1S/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3/t13-,14-,15+,17+,18-,19-,20-,21-/m0/s1


name: Sodium 3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylate
cas: 94088-92-3
formula: C14H14O2.Na
inchikey: HHGZQTPEHONJHF-UHFFFAOYSA-M
norman_susdat_id: NS00092087
smiles: [Na+].CC1(C)C(C(=O)[O-])C12C=Cc3ccccc23
inchi:
InChI=1/C14H14O2.Na/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14;/h3-8,11H,1-2H3,(H,15,16);/q;+1/p-1


name: N-[N-(chloroacetyl)glycyl]-DL-valine
cas: 94088-95-6
formula: C9H15ClN2O4
inchikey: BKNMSZCXSKJYBI-QMMMGPOBSA-N
norman_susdat_id: NS00063808
pubchem_cid: 21117254
smiles: O=C(O)C(NC(=O)CNC(=O)CCl)C(C)C
inchi:
InChI=1/C9H15ClN2O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)


name: N-[N-(chloroacetyl)-DL-leucyl]glycine
cas: 94088-96-7
formula: C10H17ClN2O4
inchikey: GLNJBRSRENXZDO-ZETCQYMHSA-N
norman_susdat_id: NS00063945
pubchem_cid: 21117255
smiles: O=C(O)CNC(=O)C(NC(=O)CCl)CC(C)C
inchi:
InChI=1/C10H17ClN2O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)


name: N-(N-DL-valylglycyl)glycine
cas: 94088-98-9
chebiid: CHEBI:166200
dtxsid: DTXSID80916514
formula: C9H17N3O4
inchikey: PIFJAFRUVWZRKR-QMMMGPOBSA-N
norman_susdat_id: NS00063809
pubchem_cid: NA
smiles: O=C(O)CNC(=O)CNC(=O)C(N)C(C)C
inchi:
InChI=1/C9H17N3O4/c1-5(2)8(10)9(16)12-3-6(13)11-4-7(14)15/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,16)(H,14,15)


cas: 94089-00-6
formula: C15H16N2O6S2.Na
inchikey: DPMKFWXGERLRCP-LDXVYITESA-M
norman_susdat_id: NS00091840
smiles: [Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])CO
name:
Sodium (6R-cis)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C15H16N2O6S2.Na/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17;/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21);/q;+1/p-1


name: 2-chloro-4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone
cas: 94089-06-2
formula: C27H26ClN3
inchikey: JYJPVYCAPONVFQ-ZTKZIYFRSA-N
norman_susdat_id: NS00063948
pubchem_cid: 53981211
smiles: ClC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C=3C=CC=4C=CC=CC4C3)N(CC)CC
inchi:
InChI=1/C27H26ClN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3


name: 2-bromo-4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone
cas: 94089-07-3
formula: C27H26BrN3
inchikey: SMAVSXJWCJFFPT-ZTKZIYFRSA-N
norman_susdat_id: NS00065131
pubchem_cid: 76845181
smiles: BrC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C=3C=CC=4C=CC=CC4C3)N(CC)CC
inchi:
InChI=1/C27H26BrN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3


name: 2-bromo-4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone
cas: 94089-08-4
formula: C27H26BrN3
inchikey: BWQOPJOHNCAMOY-ZTKZIYFRSA-N
norman_susdat_id: NS00065132
pubchem_cid: 13827857
smiles: BrC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43)N(CC)CC
inchi:
InChI=1/C27H26BrN3/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: 4-(diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone
cas: 94089-09-5
formula: C27H26FN3
inchikey: YXDPHFMZUXCOOE-ZTKZIYFRSA-N
norman_susdat_id: NS00064319
pubchem_cid: 57356471
smiles: FC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43)N(CC)CC
inchi:
InChI=1/C27H26FN3/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: 4-(diethylamino)-2-fluorobenzaldehyde 2-naphthylphenylhydrazone
cas: 94089-10-8
formula: C27H26FN3
inchikey: FWXRTRYVEUMROR-ZTKZIYFRSA-N
norman_susdat_id: NS00065153
pubchem_cid: 57356472
smiles: FC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C=3C=CC=4C=CC=CC4C3)N(CC)CC
inchi:
InChI=1/C27H26FN3/c1-3-30(4-2)25-16-15-23(27(28)19-25)20-29-31(24-12-6-5-7-13-24)26-17-14-21-10-8-9-11-22(21)18-26/h5-20H,3-4H2,1-2H3


name: 2-chloro-4-(1-pyrrolidinyl)benzaldehyde 1-naphthylphenylhydrazone
cas: 94089-11-9
formula: C27H24ClN3
inchikey: OPFRXUONNBFUCF-ZTKZIYFRSA-N
norman_susdat_id: NS00064320
pubchem_cid: 57356473
smiles: ClC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43)N5CCCC5
inchi:
InChI=1/C27H24ClN3/c28-26-19-24(30-17-6-7-18-30)16-15-22(26)20-29-31(23-11-2-1-3-12-23)27-14-8-10-21-9-4-5-13-25(21)27/h1-5,8-16,19-20H,6-7,17-18H2


name: 2-chloro-4-(dimethylamino)benzaldehyde 2-naphthylphenylhydrazone
cas: 94089-12-0
formula: C25H22ClN3
inchikey: ATOUEWDTWJYPPQ-OVVQPSECSA-N
norman_susdat_id: NS00063949
pubchem_cid: 57356474
smiles: ClC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C=3C=CC=4C=CC=CC4C3)N(C)C
inchi:
InChI=1/C25H22ClN3/c1-28(2)23-14-13-21(25(26)17-23)18-27-29(22-10-4-3-5-11-22)24-15-12-19-8-6-7-9-20(19)16-24/h3-18H,1-2H3


name: 4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
cas: 94089-18-6
formula: C15H25NO7
inchikey: IFYVAPPYWOMVDP-UHFFFAOYSA-N
norman_susdat_id: NS00063950
pubchem_cid: 9797624
smiles: O=C(OCCCNC(=O)C(OC(=O)C)C(C)(C)COC(=O)C)C
inchi:
InChI=1/C15H25NO7/c1-10(17)21-8-6-7-16-14(20)13(23-12(3)19)15(4,5)9-22-11(2)18/h13H,6-9H2,1-5H3,(H,16,20)


name: [1,1'-biphenyl]-2-ol, compound with dibutylamine (1:1)
cas: 94089-19-7
formula: C12H10O.C8H19N
inchikey: OYPHBXANXOZUEU-UHFFFAOYSA-N
norman_susdat_id: NS00092521
smiles: CCCCNCCCC.Oc1ccccc1c2ccccc2
inchi:
InChI=1/C12H10O.C8H19N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-5-7-9-8-6-4-2/h1-9,13H;9H,3-8H2,1-2H3


cas: 94089-20-0
formula: C12H22O4.xC8H23N5
inchikey: VKVJDKIVSWZOGY-UHFFFAOYSA-N
norman_susdat_id: NS00091841
smiles: NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)O
name:
Dodecanedioic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine

inchi:
InChI=1/C12H22O4.C8H23N5/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2,(H,13,14)(H,15,16);11-13H,1-10H2


name: 2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquizolin-3(4h)-yl}methyl)benzonitrile
cas: 940907-93-7
formula: C21H21N5O
inchikey: OYNURZXTLNNKAP-QGZVFWFLSA-N
norman_susdat_id: NS00070331
pubchem_cid: 23647311
smiles: N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2ccccc2c1=O
inchi:
InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1


name: Mericitabine
cas: 940908-79-2
formula: C18H26FN3O6
inchikey: MLESJYFEMSJZLZ-MAAOGQSESA-N
norman_susdat_id: NS00072149
pubchem_cid: 16122663
smiles: CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
inchi:
InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1


name: Tetradecanoic acid, 1,1'-(methyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silylene) ester
cas: 94094-26-5
dtxsid: DTXSID00881134
formula: C35H61F9O4Si
inchikey: GESMFLWHJHJCRF-UHFFFAOYSA-N
norman_susdat_id: NS00108860
smiles: CCCCCCCCCCCCC(C(O)=O)[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(CCCCCCCCCCCC)C(O)=O
inchi:
InChI=1/C35H61F9O4Si/c1-4-6-8-10-12-14-16-18-20-22-24-28(30(45)46)49(3,27-26-32(36,37)33(38,39)34(40,41)35(42,43)44)29(31(47)48)25-23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-27H2,1-3H3,(H,45,46)(H,47,48)


name: N,N-bis(2-hydroxyethyl)palmitamide acetate
cas: 94094-32-3
formula: C20H41NO3.C2H4O2
inchikey: NGVPIYGHTGSDBC-UHFFFAOYSA-N
norman_susdat_id: NS00091842
smiles: CCCCCCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O
inchi:
InChI=1/C20H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23;1-2(3)4/h22-23H,2-19H2,1H3;1H3,(H,3,4)


name: Bis(2-hydroxyethyl)(stearoyl)ammonium acetate
cas: 94094-33-4
formula: C22H45NO3.C2H4O2
inchikey: KEJPLEIJNNVZRY-UHFFFAOYSA-N
norman_susdat_id: NS00092522
smiles: CCCCCCCCCCCCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-]
inchi:
InChI=1/C22H45NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h24-25H,2-21H2,1H3;1H3,(H,3,4)


name: Bis(2-hydroxyethyl)(octadec-9-enoyl)ammonium acetate
cas: 94094-34-5
formula: C22H43NO3.C2H4O2
inchikey: NXURWDLLVUKUHO-UHFFFAOYSA-N
norman_susdat_id: NS00092088
smiles: O=C(CCCCCCCC=CCCCCCCCC)[NH+](CCO)CCO.[O-]C(C)=O
inchi:
InChI=1/C22H43NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h9-10,24-25H,2-8,11-21H2,1H3;1H3,(H,3,4)


name: Bis(2-hydroxyethyl)(octadeca-9,12-dienoyl)ammonium acetate
cas: 94094-36-7
formula: C22H41NO3.C2H4O2
inchikey: YLRISEYIWFXBRM-UHFFFAOYSA-N
norman_susdat_id: NS00091843
smiles: O=C(CCCCCCCC=CCC=CCCCCC)[NH+](CCO)CCO.[O-]C(C)=O
inchi:
InChI=1/C22H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3;1H3,(H,3,4)


name: (2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl) hydrogen succinate
cas: 94094-37-8
chemspiderid: 21166698
dtxsid: DTXSID20240507
formula: C21H21Cl1N2O6S1
inchikey: MXCCYYLUOIVZLE-UHFFFAOYSA-N
norman_susdat_id: NS00040028
pubchem_cid: 44151306
smiles: OC(=O)CCC(=O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H21ClN2O6S/c22-16-3-1-15(2-4-16)19-11-12-24(23-19)17-5-7-18(8-6-17)31(28,29)14-13-30-21(27)10-9-20(25)26/h1-8H,9-14H2,(H,25,26)


name: 5-Chloro-2-(4-chlorophenoxy)-N,N-diethyl-4-nitroaniline
cas: 94094-38-9
chemspiderid: 2055364
dtxsid: DTXSID80240508
formula: C16H16Cl2N2O3
inchikey: JOFIIJLHJGKEGN-UHFFFAOYSA-N
norman_susdat_id: NS00040029
pubchem_cid: 2774990
smiles: CCN(CC)c1c(Oc2ccc(Cl)cc2)cc(c(Cl)c1)[N+](=O)[O-]
inchi:
InChI=1S/C16H16Cl2N2O3/c1-3-19(4-2)15-9-13(18)14(20(21)22)10-16(15)23-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3


name: 3,8-diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide
cas: 94094-40-3
formula: C20H18N3.2BrH.Br
inchikey: HBSQLQYPOGZIKY-UHFFFAOYSA-N
norman_susdat_id: NS00091703
smiles: Br.Br.[Br-].C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14
inchi:
InChI=1/C20H17N3.3BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;;;/h2-12,22H,21H2,1H3;3*1H


name: 3,8-dinitro-6-phenylphenanthridinium chloride
cas: 94094-41-4
formula: C19H11N3O4.ClH
inchikey: GBUAJSFEZBCPII-UHFFFAOYSA-N
norman_susdat_id: NS00092299
smiles: [Cl-].[O-][N+](=O)c1ccc2c(c1)[nH+]c(c3ccccc3)c4cc(ccc24)[N+](=O)[O-]
inchi:
InChI=1/C19H11N3O4.ClH/c23-21(24)13-6-8-15-16-9-7-14(22(25)26)11-18(16)20-19(17(15)10-13)12-4-2-1-3-5-12;/h1-11H;1H


name: 5-methyl-3,8-dinitro-6-phenylphenanthridinium chloride
cas: 94094-42-5
formula: C20H14N3O4.Cl
inchikey: FEXABEMAEUCUPB-UHFFFAOYSA-M
norman_susdat_id: NS00091552
smiles: [Cl-].C[n+]1c(c2ccccc2)c3cc(ccc3c4ccc(cc14)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C20H14N3O4.ClH/c1-21-19-12-15(23(26)27)8-10-17(19)16-9-7-14(22(24)25)11-18(16)20(21)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1


name: 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioic acid
cas: 94094-48-1
dtxsid: DTXSID50916506
formula: C18H33NO5
inchikey: LXBFYJPGFHKQAK-UHFFFAOYSA-N
norman_susdat_id: NS00063209
pubchem_cid: 3023513
smiles: O=C(O)CCCCCCC(NCCC(O)C1CCCCC1)C(=O)O
inchi:
InChI=1/C18H33NO5/c20-16(14-8-4-3-5-9-14)12-13-19-15(18(23)24)10-6-1-2-7-11-17(21)22/h14-16,19-20H,1-13H2,(H,21,22)(H,23,24)


name: 2-(dimethylamino)-N-[4-hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]allyl]phenyl]acetamide
cas: 94094-50-5
formula: C20H19F3N2O3
inchikey: IKZAYYJKUYPUIQ-SOFGYWHQSA-N
norman_susdat_id: NS00063814
pubchem_cid: 6366411
smiles: O=C(C=CC1=CC=CC(=C1)C(F)(F)F)C2=CC(=CC=C2O)NC(=O)CN(C)C
inchi:
InChI=1/C20H19F3N2O3/c1-25(2)12-19(28)24-15-7-9-18(27)16(11-15)17(26)8-6-13-4-3-5-14(10-13)20(21,22)23/h3-11,27H,12H2,1-2H3,(H,24,28)


name: N-[4-hydroxy-3-[3-[4-[2-morpholinoethoxy]phenyl]acryloyl]phenyl]benzenesulphonamide
cas: 94094-51-6
formula: C27H28N2O6S
inchikey: FXJJUOITYWTIIW-XYOKQWHBSA-N
norman_susdat_id: NS00063494
pubchem_cid: 6366412
smiles: O=C(C=CC1=CC=C(OCCN2CCOCC2)C=C1)C3=CC(=CC=C3O)NS(=O)(=O)C=4C=CC=CC4
inchi:
InChI=1/C27H28N2O6S/c30-26(12-8-21-6-10-23(11-7-21)35-19-16-29-14-17-34-18-15-29)25-20-22(9-13-27(25)31)28-36(32,33)24-4-2-1-3-5-24/h1-13,20,28,31H,14-19H2


name: N-[4-hydroxy-3-[3-[4-[2-(morpholin-4-yl)ethoxy]phenyl]-1-oxoallyl]phenyl]acetamide
cas: 94094-52-7
formula: C23H26N2O5
inchikey: RFROWBDDKBXKPH-XBXARRHUSA-N
norman_susdat_id: NS00063520
pubchem_cid: 6366413
smiles: O=C(C=CC1=CC=C(OCCN2CCOCC2)C=C1)C3=CC(=CC=C3O)NC(=O)C
inchi:
InChI=1/C23H26N2O5/c1-17(26)24-19-5-9-23(28)21(16-19)22(27)8-4-18-2-6-20(7-3-18)30-15-12-25-10-13-29-14-11-25/h2-9,16,28H,10-15H2,1H3,(H,24,26)


name: 4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxo-propen-1-yl]benzoic acid
cas: 94094-54-9
formula: C18H15NO5
inchikey: PXFJWEXRMWNDBT-UHFFFAOYSA-N
norman_susdat_id: NS00063521
pubchem_cid: 3023518
smiles: O=C(O)C1=CC=C(C=CC(=O)C2=CC(=CC=C2O)NC(=O)C)C=C1
inchi:
InChI=1/C18H15NO5/c1-11(20)19-14-7-9-17(22)15(10-14)16(21)8-4-12-2-5-13(6-3-12)18(23)24/h2-10,22H,1H3,(H,19,20)(H,23,24)


name: 4-[[4-hydroxy-3-[1-oxo-3-[3-(trifluoromethyl)phenyl]allyl]phenyl]amino]-4-oxobutyric acid
cas: 94094-55-0
formula: C20H16F3NO5
inchikey: YQDHPVFGGUCTPQ-GQCTYLIASA-N
norman_susdat_id: NS00063211
pubchem_cid: 6366415
smiles: O=C(O)CCC(=O)NC1=CC=C(O)C(=C1)C(=O)C=CC2=CC=CC(=C2)C(F)(F)F
inchi:
InChI=1/C20H16F3NO5/c21-20(22,23)13-3-1-2-12(10-13)4-6-16(25)15-11-14(5-7-17(15)26)24-18(27)8-9-19(28)29/h1-7,10-11,26H,8-9H2,(H,24,27)(H,28,29)


name: N-[4-hydroxy-3-(1-oxo-3-phenylallyl)phenyl]benzenesulphonamide
cas: 94094-59-4
formula: C21H17NO4S
inchikey: WAGPHWCQZLAVCA-ACCUITESSA-N
norman_susdat_id: NS00063213
pubchem_cid: 6366416
smiles: O=C(C=CC=1C=CC=CC1)C2=CC(=CC=C2O)NS(=O)(=O)C=3C=CC=CC3
inchi:
InChI=1/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H


name: [(4-dodecylphenyl)methyl]guanidinium monoacetate
cas: 94094-61-8
dtxsid: DTXSID30916504
formula: C20H35N3
inchikey: IWCLQZGFYRNLIZ-UHFFFAOYSA-N
norman_susdat_id: NS00063214
pubchem_cid: 44146815
smiles: O=C([O-])C.N=C(N)[NH2+]CC1=CC=C(C=C1)CCCCCCCCCCCC
inchi:
InChI=1/C20H35N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)17-23-20(21)22;1-2(3)4/h13-16H,2-12,17H2,1H3,(H4,21,22,23);1H3,(H,3,4)


name: 2-ethylhexyl (Z)-docos-13-enoate
cas: 94094-62-9
formula: C30H58O2
inchikey: PECIZVZMWBESKB-PFONDFGASA-N
norman_susdat_id: NS00063215
pubchem_cid: 20833813
smiles: O=C(OCC(CC)CCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C30H58O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(31)32-28-29(6-3)26-8-5-2/h14-15,29H,4-13,16-28H2,1-3H3


cas: 94094-63-0
dtxsid: DTXSID70916503
formula: C40H61N3O5P
inchikey: NMSBXCLAZMOYSG-UHFFFAOYSA-Q
norman_susdat_id: NS00063837
pubchem_cid: 56841426
smiles: O=P(O)(OCCC)OC(COCCCC)CN(C1=CC=C(C(=C1)C)[C+](C2=CC=C(C=C2)[NH+](CC)CC)C3=CC=C(C=C3)[NH+](CC)CC)CC
name:
[4-[[3-butoxy-2-[(hydroxypropoxyphosphinyl)oxy]propyl]ethylamino]-o-tolyl]bis[4-(diethylammonio)phenyl]methylium

inchi:
InChI=1/C40H62N3O5P/c1-9-16-28-46-31-38(48-49(44,45)47-27-10-2)30-43(15-7)37-25-26-39(32(8)29-37)40(33-17-21-35(22-18-33)41(11-3)12-4)34-19-23-36(24-20-34)42(13-5)14-6/h17-26,29,38,40H,9-16,27-28,30-31H2,1-8H3,(H,44,45)/q+1/p+2


name: Disodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulphonatophenoxy)anthracene-2-sulphonate
cas: 94094-64-1
formula: C20H12O11S2.2Na
inchikey: JBQQJBHUQSTJND-UHFFFAOYSA-L
norman_susdat_id: NS00091561
smiles: [Na+].[Na+].Oc1c(Oc2ccc(cc2)S(=O)(=O)[O-])c(c(O)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)[O-]
inchi:
InChI=1/C20H12O11S2.2Na/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27;;/h1-8,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: N-(4-butylphenyl)-4-[(2-chlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide
cas: 94094-68-5
formula: C27H24ClN3O2
inchikey: OKWOBPOJPZEQBW-UHFFFAOYSA-N
norman_susdat_id: NS00064726
pubchem_cid: 3023523
smiles: O=C(NC1=CC=C(C=C1)CCCC)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4Cl)=C2O
inchi:
InChI=1/C27H24ClN3O2/c1-2-3-8-18-13-15-20(16-14-18)29-27(33)22-17-19-9-4-5-10-21(19)25(26(22)32)31-30-24-12-7-6-11-23(24)28/h4-7,9-17,32H,2-3,8H2,1H3,(H,29,33)


name: N-(4-butylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
cas: 94094-69-6
formula: C28H26ClN3O2
inchikey: KWRCSJORDFKKLN-UHFFFAOYSA-N
norman_susdat_id: NS00063522
pubchem_cid: 3023524
smiles: O=C(NC1=CC=C(C=C1)CCCC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C28H26ClN3O2/c1-3-4-7-19-10-13-22(14-11-19)30-28(34)24-17-20-8-5-6-9-23(20)26(27(24)33)32-31-25-15-12-21(29)16-18(25)2/h5-6,8-17,33H,3-4,7H2,1-2H3,(H,30,34)


name: (Z)-4-bromo-4'-[3-bromo-1-(4-chlorophenyl)-1-propenyl]-1,1'-biphenyl
cas: 94094-71-0
formula: C21H15Br2Cl
inchikey: YHLUVFQCHVUOSO-BKUYFWCQSA-N
norman_susdat_id: NS00063234
pubchem_cid: 20836316
smiles: ClC1=CC=C(C=C1)C(=CCBr)C2=CC=C(C=C2)C=3C=CC(Br)=CC3
inchi:
InChI=1/C21H15Br2Cl/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: N-benzylphenethylammonium diacetate
cas: 94094-72-1
dtxsid: DTXSID90916500
formula: C15H17N
inchikey: BRQKFJGTYNBBAF-UHFFFAOYSA-N
norman_susdat_id: NS00064727
pubchem_cid: 21439915
smiles: O=C([O-])C.O=C([O-])C.C=1C=CC(=CC1)CC=2C=CC=CC2CC[NH3+].C=1C=CC(=CC1)CC=2C=CC=CC2CC[NH3+]
inchi:
InChI=1/2C15H17N.2C2H4O2/c2*16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13;2*1-2(3)4/h2*1-9H,10-12,16H2;2*1H3,(H,3,4)


name: Sodium [(4-methoxyphenyl)methylene]phenylacetate
cas: 94094-73-2
formula: C16H14O3
inchikey: MPBAQAFAFGXLSK-UHFFFAOYSA-M
norman_susdat_id: NS00063838
pubchem_cid: 53432494
smiles: [Na+].O=C([O-])C(=CC1=CC=C(OC)C=C1)C=2C=CC=CC2
inchi:
InChI=1/C16H14O3.Na/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13;/h2-11H,1H3,(H,17,18);/q;+1/p-1


name: Dipotassium 2-carboxylato-1H-indole-3-butyrate
cas: 94094-74-3
formula: C13H13NO4.2K
inchikey: RGHBVLXJSKFBSI-UHFFFAOYSA-L
norman_susdat_id: NS00091562
smiles: [K+].[K+].[O-]C(=O)CCCc1c([nH]c2ccccc12)C(=O)[O-]
inchi:
InChI=1/C13H13NO4.2K/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18;;/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18);;/q;2*+1/p-2


cas: 94094-75-4
formula: C23H14O6.C15H32N2
inchikey: POGJWKOIDIKSTG-UHFFFAOYSA-L
norman_susdat_id: NS00091844
smiles: C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.Oc3c(Cc4c(O)c(cc5ccccc45)C(=O)[O-])c6ccccc6cc3C(=O)[O-]
name:
1,1'-(pentane-1,5-diyl)bis[1-methylpyrrolidinium] 4,4'-methylenebis[3-hydroxynaphthalene-2-carboxylate]

inchi:
InChI=1/C23H16O6.C15H32N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-15H2,1-2H3/q;+2/p-2


name: 3,3'-(1,2-dimethylethane-1,2-diylidene)bis[N-methyl-N'-(methylsulphonyl)carbazamidine]
cas: 94094-76-5
formula: C10H22N8O4S2
inchikey: XDZBMQCXSUNZKF-UHFFFAOYSA-N
norman_susdat_id: NS00063839
pubchem_cid: 57356478
smiles: O=S(=O)(N=C(NN=C(C(=NNC(=NS(=O)(=O)C)NC)C)C)NC)C
inchi:
InChI=1/C10H22N8O4S2/c1-7(13-15-9(11-3)17-23(5,19)20)8(2)14-16-10(12-4)18-24(6,21)22/h1-6H3,(H2,11,15,17)(H2,12,16,18)


name: 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid
cas: 94094-80-1
chemspiderid: 4675710
dtxsid: DTXSID60240521
formula: C12H9N3O8S1
inchikey: YFPQLLJMKAPUQU-UHFFFAOYSA-N
norman_susdat_id: NS00040033
pubchem_cid: 5744245
smiles: Oc1ccc(Nc2ccc(c(c2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C12H9N3O8S/c16-8-3-1-7(2-4-8)13-9-5-6-10(14(17)18)12(24(21,22)23)11(9)15(19)20/h1-6,13,16H,(H,21,22,23)


name: 2,9-Bis(3-mercaptophenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
cas: 94094-81-2
chemspiderid: 21166712
dtxsid: DTXSID20240522
formula: C36H18N2O4S2
inchikey: QYJNEVWQFXXWNF-UHFFFAOYSA-N
norman_susdat_id: NS00040034
pubchem_cid: 56841428
smiles: SC1=CC=CC(=C1)N1C(=O)C2=CC=C3C4=CC=C5C(=O)N(C6=CC(S)=CC=C6)C(=O)C6=C5C4=C(C=C6)C4=C3C2=C(C=C4)C1=O
inchi:
InChI=1S/C36H18N2O4S2/c39-33-25-11-7-21-23-9-13-27-32-28(36(42)38(35(27)41)18-4-2-6-20(44)16-18)14-10-24(30(23)32)22-8-12-26(31(25)29(21)22)34(40)37(33)17-3-1-5-19(43)15-17/h1-16,43-44H


name: 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
cas: 94097-88-8
chemspiderid: 4754631
dtxsid: DTXSID40372278
formula: C17H15Cl1N2O3
inchikey: LZLLLIXVUHWOKV-UHFFFAOYSA-N
norman_susdat_id: NS00004175
pubchem_cid: 2738128
smiles: [O-][N+](=O)c1ccc(CON=C(C2CC2)c2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2


name: Tat-BP
cas: 94102-64-4
chebiid: CHEBI:46763
dtxsid: DTXSID90276530
formula: C37H59N7O20
inchikey: UPFMKPIBAIPLHT-RSJSDIDPSA-N
norman_susdat_id: NS00073109
pubchem_cid: 163626
inchi:
InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1

smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H](NC(C)=O)[C@H]2O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O


name: Potassium (R)-(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxopropylidene)amino]acetate
cas: 94107-37-6
formula: C13H15NO5
inchikey: GQBMWKZONUKJHR-BJLSQTCJSA-M
norman_susdat_id: NS00062651
pubchem_cid: NA
smiles: [K+].O=C([O-])C(N=C(C)CC(=O)OC)C1=CC=C(O)C=C1
inchi:
InChI=1/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-6,12,15H,7H2,1-2H3,(H,17,18);/q;+1/p-1


name: Potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino](4-hydroxyphenyl)acetate
cas: 94107-38-7
formula: C14H17NO5
inchikey: QRVSNCPZUSBSDL-IJLASVAVSA-M
norman_susdat_id: NS00062930
pubchem_cid: NA
smiles: [K+].O=C([O-])C(N=C(C)CC(=O)OCC)C1=CC=C(O)C=C1
inchi:
InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-7,13,16H,3,8H2,1-2H3,(H,18,19);/q;+1/p-1


name: N-(2-bromopropionyl)-3-phenyl-DL-alanine
cas: 94107-39-8
dtxsid: DTXSID70916487
formula: C12H14BrNO3
inchikey: DMSBFCNMHVOUMI-HTLJXXAVSA-N
norman_susdat_id: NS00062652
pubchem_cid: 21117232
smiles: O=C(O)C(NC(=O)C(Br)C)CC=1C=CC=CC1
inchi:
InChI=1/C12H14BrNO3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)(H,16,17)


name: N-(2-bromo-3-methylbutyryl)-3-phenyl-DL-alanine
cas: 94107-41-2
dtxsid: DTXSID50916485
formula: C14H18BrNO3
inchikey: RGIHFSFFOHEHAX-PXYINDEMSA-N
norman_susdat_id: NS00063100
pubchem_cid: 102267737
smiles: O=C(O)C(NC(=O)C(Br)C(C)C)CC=1C=CC=CC1
inchi:
InChI=1/C14H18BrNO3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,16,17)(H,18,19)


name: (Z)-1-(octadec-9-enylamino)propan-2-ol
cas: 94107-46-7
formula: C21H43NO
inchikey: JDAFEOLQWJYXFH-KHPPLWFESA-N
norman_susdat_id: NS00063101
pubchem_cid: 14818773
smiles: OC(C)CNCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h10-11,21-23H,3-9,12-20H2,1-2H3


name: 2,2'-[1-(2-dodecenyl)ethane-1,2-diyl]bis-2-oxazoline-4,4-dimethanol
cas: 94107-50-3
formula: C24H42N2O6
inchikey: JFLJAMGXRVXFEW-UHFFFAOYSA-N
norman_susdat_id: NS00063697
pubchem_cid: 57356482
smiles: OCC1(N=C(OC1)CC(C2=NC(CO)(CO)CO2)CC=CCCCCCCCCC)CO
inchi:
InChI=1/C24H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-20(22-26-24(16-29,17-30)19-32-22)13-21-25-23(14-27,15-28)18-31-21/h10-11,20,27-30H,2-9,12-19H2,1H3


name: N-(2-(2-Chlorobenzoyl)-4-nitrophenyl)-p-toluenesulphonamide
cas: 94107-56-9
chemspiderid: 2289706
dtxsid: DTXSID50240535
formula: C20H15Cl1N2O5S1
inchikey: ODXRHTZAUULMID-UHFFFAOYSA-N
norman_susdat_id: NS00040038
pubchem_cid: 3023541
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(cc(cc1)[N+](=O)[O-])C(=O)c1c(Cl)cccc1
inchi:
InChI=1S/C20H15ClN2O5S/c1-13-6-9-15(10-7-13)29(27,28)22-19-11-8-14(23(25)26)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,22H,1H3


name: N-[2-(o-fluorobenzoyl)-4-nitrophenyl]-p-toluenesulphonamide
cas: 94107-57-0
dtxsid: DTXSID10240536
formula: C20H16FN2O5S
inchikey: HDZOKBVEFAIKLM-UHFFFAOYSA-N
norman_susdat_id: NS00062715
pubchem_cid: 3023542
smiles: O=C(C=1C=CC=CC1F)C2=CC(=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]
inchi:
InChI=1/C20H15FN2O5S/c1-13-6-9-15(10-7-13)29(27,28)22-19-11-8-14(23(25)26)12-17(19)20(24)16-4-2-3-5-18(16)21/h2-12,22H,1H3


name: Sodium 2-[2-(tridecyloxy)ethoxy]ethyl sulphate
cas: 94107-61-6
dtxsid: DTXSID30240538
formula: C17H36O6S
inchikey: FDFQLLWHNQBFIV-UHFFFAOYSA-M
norman_susdat_id: NS00062716
pubchem_cid: 3023544
smiles: [Na+].O=S(=O)([O-])OCCOCCOCCCCCCCCCCCCC
inchi:
InChI=1/C17H36O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-14-15-22-16-17-23-24(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1


name: (2-hydroxyethyl)ammonium pentadecyl sulphate
cas: 94107-62-7
formula: C15H32O4S.C2H7NO
inchikey: VBGKQAYNBGPGDI-UHFFFAOYSA-N
norman_susdat_id: NS00091020
smiles: CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[NH3+]CCO
inchi:
InChI=1/C15H32O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;3-1-2-4/h2-15H2,1H3,(H,16,17,18);4H,1-3H2


name: (tert-butyl)[ß-oxo-3,4-bis(p-toluoyloxy)phenethyl]ammonium trifluoroacetate
cas: 94107-63-8
formula: C28H29NO5.C2HF3O2
inchikey: TUINJTHHEYURGI-UHFFFAOYSA-N
norman_susdat_id: NS00091021
smiles: Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(=O)C[NH2+]C(C)(C)C.[O-]C(=O)C(F)(F)F
inchi:
InChI=1/C28H29NO5.C2HF3O2/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;3-2(4,5)1(6)7/h6-16,29H,17H2,1-5H3;(H,6,7)


name: Triammonium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 94107-64-9
formula: C4H13NO7P2.3H3N
inchikey: FSEJJLUPAXZSIH-UHFFFAOYSA-M
norman_susdat_id: NS00091166
smiles: [NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.3H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);3*1H3/p-1


name: Tetraammonium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 94107-65-0
formula: C4H13NO7P2.4H3N
inchikey: ILQMHLOPDFWCAI-UHFFFAOYSA-N
norman_susdat_id: NS00091167
smiles: [NH4+].[NH4+].[NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.4H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);4*1H3


name: Diammonium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94107-66-1
formula: C5H15NO6P2.2H3N
inchikey: ZXNFLOLUPCEWJB-UHFFFAOYSA-L
norman_susdat_id: NS00091263
smiles: [NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94107-67-2
formula: C5H15NO6P2.2H3N
inchikey: IHHJYHPPYNJMPG-UHFFFAOYSA-L
norman_susdat_id: NS00091022
smiles: [NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [(butylimino)bis(methylene)]bisphosphonate
cas: 94107-68-3
formula: C6H17NO6P2.2H3N
inchikey: PSGUWWUTWWVRIV-UHFFFAOYSA-L
norman_susdat_id: NS00091168
smiles: [NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.2H3N/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);2*1H3/p-2


name: (2-(Stearoylamino)ethoxy)acetic acid
cas: 94107-69-4
chemspiderid: 2289710
dtxsid: DTXSID40240544
formula: C22H43N1O4
inchikey: ZWIYAJWMHYKEMP-UHFFFAOYSA-N
norman_susdat_id: NS00040040
pubchem_cid: 3023546
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCOCC(=O)O
inchi:
InChI=1S/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-18-19-27-20-22(25)26/h2-20H2,1H3,(H,23,24)(H,25,26)


name: Diammonium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate
cas: 94107-70-7
formula: C8H21NO6P2.2H3N
inchikey: AGWOZOMWEWMBHP-UHFFFAOYSA-L
norman_susdat_id: NS00091169
smiles: [NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94107-71-8
formula: C9H23NO6P2.2H3N
inchikey: GCKPSOJHDQNKOM-UHFFFAOYSA-L
norman_susdat_id: NS00091170
smiles: [NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94107-73-0
formula: C10H25NO6P2.2H3N
inchikey: QHRUBDXIOFVCOS-UHFFFAOYSA-L
norman_susdat_id: NS00091171
smiles: [NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bisphosphonate
cas: 94107-74-1
formula: C11H27NO6P2.2H3N
inchikey: PIYLVOZEPSGBOJ-UHFFFAOYSA-L
norman_susdat_id: NS00091773
smiles: [NH4+].[NH4+].CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C
inchi:
InChI=1/C11H27NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 94107-75-2
formula: C14H33NO6P2.2H3N
inchikey: ZWZHNXFQAFBKRX-UHFFFAOYSA-L
norman_susdat_id: NS00091172
smiles: [NH4+].[NH4+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.2H3N/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);2*1H3/p-2


name: Diammonium dihydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 94107-76-3
formula: C16H37NO6P2.2H3N
inchikey: IUOCUMOMRVDMOD-UHFFFAOYSA-L
norman_susdat_id: NS00091173
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.2H3N/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);2*1H3/p-2


name: Triammonium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94107-77-4
formula: C5H15NO6P2.3H3N
inchikey: FGBZENWTEWQOOR-UHFFFAOYSA-M
norman_susdat_id: NS00091774
smiles: [NH4+].[NH4+].[NH4+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94107-78-5
formula: C5H15NO6P2.3H3N
inchikey: GAJZIQCGMQHKIY-UHFFFAOYSA-M
norman_susdat_id: NS00091023
smiles: [NH4+].[NH4+].[NH4+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [(butylimino)bis(methylene)]bisphosphonate
cas: 94107-79-6
formula: C6H17NO6P2.3H3N
inchikey: HQJSFGFVCZCZET-UHFFFAOYSA-M
norman_susdat_id: NS00091174
smiles: [NH4+].[NH4+].[NH4+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [(hexylimino)bis(methylene)]diphosphonate
cas: 94107-80-9
formula: C8H21NO6P2.3H3N
inchikey: FSFBGOFSUZDVLA-UHFFFAOYSA-M
norman_susdat_id: NS00091175
smiles: [NH4+].[NH4+].[NH4+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94107-81-0
formula: C9H23NO6P2.3H3N
inchikey: IDRUAEVIVUWXLG-UHFFFAOYSA-M
norman_susdat_id: NS00091264
smiles: [NH4+].[NH4+].[NH4+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [(octylimino)bis(methylene)]bisphosphonate
cas: 94107-82-1
formula: C10H25NO6P2.3H3N
inchikey: XLDDLJNRMMWMHP-UHFFFAOYSA-M
norman_susdat_id: NS00091265
smiles: [NH4+].[NH4+].[NH4+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3H3N/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);3*1H3/p-1


name: Triammonium hydrogen [[(2-ethylhexyl)imino]bis(methylene)]diphosphonate
cas: 94107-83-2
formula: C10H25NO6P2.3H3N
inchikey: UUJVLNGOXOLLOQ-UHFFFAOYSA-M
norman_susdat_id: NS00091176
smiles: [NH4+].[NH4+].[NH4+].CCCCC(CC)CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3H3N/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);3*1H3/p-1


name: (8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate
cas: 94107-85-4
formula: C20H24N2O2.C6H5NO2
inchikey: JLKLNKWCCKPIOP-DSXUQNDKSA-N
norman_susdat_id: NS00091266
smiles: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]C(=O)c5cccnc5
inchi:
InChI=1/C20H24N2O2.C6H5NO2/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;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)


name: Lithium 3,7,12-trioxo-5ß-cholan-24-oate
cas: 94107-86-5
formula: C24H34O5.Li
inchikey: MDBRRPHXJSSWBY-CAOXKPNISA-M
norman_susdat_id: NS00091267
smiles: [Li+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O
inchi:
InChI=1/C24H34O5.Li/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1


cas: 94107-94-5
formula: C24H21N3O6S
inchikey: RAUAAKTVCYLZKP-UHFFFAOYSA-M
norman_susdat_id: NS00062574
pubchem_cid: 44146394
smiles: [Na+].O=C(NC(C)C)C=1C=CC=C(C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-]
name:
Sodium 1-amino-9,10-dihydro-4-[[3-[[(1-methylethyl)amino]carbonyl]phenyl]amino]-9,10-dioxoanthracen-2-sulphonate

inchi:
InChI=1/C24H21N3O6S.Na/c1-12(2)26-24(30)13-6-5-7-14(10-13)27-17-11-18(34(31,32)33)21(25)20-19(17)22(28)15-8-3-4-9-16(15)23(20)29;/h3-12,27H,25H2,1-2H3,(H,26,30)(H,31,32,33);/q;+1/p-1


name: 4-[[4-(dimethylamino)phenyl]iminomethyl]-N,N,N-trimethylanilinium methyl sulphate
cas: 94107-96-7
dtxsid: DTXSID10240556
formula: C18H24N3
inchikey: KOTQVWGDAGINHD-UHFFFAOYSA-M
norman_susdat_id: NS00062575
pubchem_cid: 5744247
smiles: O=S(=O)([O-])OC.N(=CC1=CC=C(C=C1)[N+](C)(C)C)C2=CC=C(C=C2)N(C)C
inchi:
InChI=1/C18H24N3.CH4O4S/c1-20(2)17-10-8-16(9-11-17)19-14-15-6-12-18(13-7-15)21(3,4)5;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1,4,5,8-tetrakis(4-aminocyclohexyl)anthraquinone
cas: 94107-98-9
dtxsid: DTXSID60916471
formula: C38H52N4O2
inchikey: VQIKXPKVWOCUFF-UHFFFAOYSA-N
norman_susdat_id: NS00062264
pubchem_cid: 119995
smiles: O=C1C2=C(C(=O)C3=C1C(=CC=C3C4CCC(N)CC4)C5CCC(N)CC5)C(=CC=C2C6CCC(N)CC6)C7CCC(N)CC7
inchi:
InChI=1/C38H52N4O2/c39-25-9-1-21(2-10-25)29-17-18-30(22-3-11-26(40)12-4-22)34-33(29)37(43)35-31(23-5-13-27(41)14-6-23)19-20-32(36(35)38(34)44)24-7-15-28(42)16-8-24/h17-28H,1-16,39-42H2


name: Sodium nonyl phthalate
cas: 94108-00-6
formula: C17H24O4.Na
inchikey: JHDVLLBHVWBRDZ-UHFFFAOYSA-M
norman_susdat_id: NS00091194
smiles: [Na+].CCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]
inchi:
InChI=1/C17H24O4.Na/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19;/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19);/q;+1/p-1


name: Sodium tridecyl phthalate
cas: 94108-01-7
chemspiderid: 2289713
dtxsid: DTXSID90240559
formula: C21H32O4
inchikey: XMCZOEVXHZONKE-UHFFFAOYSA-M
norman_susdat_id: NS00040042
pubchem_cid: 23662610
smiles: [Na+].CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]
inchi:
InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23/h12-13,15-16H,2-11,14,17H2,1H3,(H,22,23)


name: Betaine D-gluconate
cas: 94108-03-9
formula: C6H11O7.C5H12NO2
inchikey: UQBXMPGEPBEEAU-JJKGCWMISA-M
norman_susdat_id: NS00091291
smiles: C[N+](C)(C)CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
inchi:
InChI=1/C6H12O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h2-5,7-11H,1H2,(H,12,13);4H2,1-3H3/p-1


name: D-glucuronic acid, compound with 2,2'-iminobis[ethanol] (1:1)
cas: 94108-04-0
formula: C6H10O7.C4H11NO2
inchikey: XQUKNPFXQIBKCF-JSCKKFHOSA-N
norman_susdat_id: NS00091054
smiles: OCCNCCO.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
inchi:
InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h1-5,8-11H,(H,12,13);5-7H,1-4H2


name: N-(1-Oxobutyl)-L-cystine
cas: 94108-05-1
chemspiderid: 21166744
dtxsid: DTXSID20240562
formula: C10H18N2O5S2
inchikey: DZLKMQVMKBHIIE-BQBZGAKWSA-N
norman_susdat_id: NS00040043
pubchem_cid: 44147434
smiles: CCCC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
inchi:
InChI=1S/C10H18N2O5S2/c1-2-3-8(13)12-7(10(16)17)5-19-18-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1


name: Methyl 5-oxo-1-[3-(triethoxysilyl)propyl]pyrrolidine-3-carboxylate
cas: 94108-07-3
dtxsid: DTXSID30916468
formula: C15H29NO6Si
inchikey: GJHHDZHJMFJSQX-UHFFFAOYSA-N
norman_susdat_id: NS00063746
pubchem_cid: 3023550
smiles: O=C(OC)C1CC(=O)N(CCC[Si](OCC)(OCC)OCC)C1
inchi:
InChI=1/C15H29NO6Si/c1-5-20-23(21-6-2,22-7-3)10-8-9-16-12-13(11-14(16)17)15(18)19-4/h13H,5-12H2,1-4H3


name: Ethyl 2-(((4-(1,1-dimethylethyl)phenyl)methylene)amino)benzoate.
cas: 94108-09-5
chemspiderid: 2289715
formula: C20H23N1O2
inchikey: CKBPPQQVZFDIKN-STZFKDTASA-N
norman_susdat_id: NS00012378
pubchem_cid: NA
smiles: CCOC(=O)c1ccccc1N=Cc2ccc(cc2)C(C)(C)C
inchi:
InChI=1S/C20H23NO2/c1-5-23-19(22)17-8-6-7-9-18(17)21-14-15-10-12-16(13-11-15)20(2,3)4/h6-14H,5H2,1-4H3


name: Disodium 4-[2-(dodecyloxy)ethyl] 2-sulphonatosuccinate
cas: 94108-10-8
formula: C18H34O8S.2Na
inchikey: ZZTKVOKJMCZYBC-UHFFFAOYSA-L
norman_susdat_id: NS00091973
smiles: [Na+].[Na+].CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2


name: N,N'-(p-phenylenedimethylidyne)bis(2-ethoxyethylamine)
cas: 94108-17-5
dtxsid: DTXSID80240568
formula: C16H24N2O2
inchikey: DEEZXCQZRUWXAL-UHFFFAOYSA-N
norman_susdat_id: NS00064675
pubchem_cid: 56841176
smiles: N(=CC1=CC=C(C=NCCOCC)C=C1)CCOCC
inchi:
InChI=1/C16H24N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3


name: Kanamycin A heptakis(sulphate)
cas: 94108-19-7
formula: C18H36N4O11.7H2O4S
inchikey: BXURHQZDJMPGHT-ROEJTCLISA-N
norman_susdat_id: NS00092273
inchi:
InChI=1/C18H36N4O11.7H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;7*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;7*(H2,1,2,3,4)

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


name: Benzyl(2-hydroxyethyl)methyl[3-[(1-oxooctadec-9-enyl)amino]propyl]ammonium chloride
cas: 94108-21-1
formula: C31H55N2O2
inchikey: RUKUQFXEZUPOEE-UHFFFAOYSA-N
norman_susdat_id: NS00064125
pubchem_cid: 53436059
smiles: [Cl-].O=C(NCCC[N+](C)(CC=1C=CC=CC1)CCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C31H54N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30;/h10-11,17-19,22-23,34H,3-9,12-16,20-21,24-29H2,1-2H3;1H


cas: 94108-22-2
formula: C24H24N4O6
inchikey: GQFXCJOAOSYUCK-UHFFFAOYSA-N
norman_susdat_id: NS00065448
pubchem_cid: 3023556
smiles: O=C(OCCOCC=C)C1=CC=C(N=NC2C(=O)N(N=C2C(=O)OCC)C=3C=CC=CC3)C=C1
name:
Ethyl 4-[[4-[[2-(allyloxy)ethoxy]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C24H24N4O6/c1-3-14-32-15-16-34-23(30)17-10-12-18(13-11-17)25-26-20-21(24(31)33-4-2)27-28(22(20)29)19-8-6-5-7-9-19/h3,5-13,20H,1,4,14-16H2,2H3


name: 2-Phenoxyethyl N-(4-((3,5-dinitro-2-thienyl)azo)-3-methylphenyl)-N-ethyl-beta-alaninate
cas: 94108-23-3
chemspiderid: 21166751
dtxsid: DTXSID10240571
formula: C24H25N5O7S1
inchikey: FQGKQTRMFPRMQB-OCEACIFDSA-N
norman_susdat_id: NS00040049
pubchem_cid: NA
smiles: CCN(CCC(=O)OCCOC1=CC=CC=C1)C1=CC(C)=C(C=C1)N=NC1=C(C=C(S1)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1S/C24H25N5O7S/c1-3-27(12-11-23(30)36-14-13-35-19-7-5-4-6-8-19)18-9-10-20(17(2)15-18)25-26-24-21(28(31)32)16-22(37-24)29(33)34/h4-10,15-16H,3,11-14H2,1-2H3/b26-25+


name: Oxydipropylene dilaurate
cas: 94108-27-7
formula: C30H58O5
inchikey: BYXSGOBFNHDZCV-VNSFXZCVSA-L
norman_susdat_id: NS00091983
smiles: CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C\C=C\O\C=C\C
inchi:
InChI=1/2C12H24O2.C6H10O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-6-4-2/h2*2-11H2,1H3,(H,13,14);3-6H,1-2H3/p-2


name: 2-(2-hydroxypropoxy)-1-methylethyl oleate
cas: 94108-28-8
formula: C24H46O4
inchikey: VFLBRNWWDSNYFZ-QXMHVHEDSA-N
norman_susdat_id: NS00065449
pubchem_cid: 16205976
smiles: O=C(OC(C)COCC(O)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)28-23(3)21-27-20-22(2)25/h11-12,22-23,25H,4-10,13-21H2,1-3H3


name: Benzyl(2-hydroxyethyl)methyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 94108-36-8
dtxsid: DTXSID10916461
formula: C31H57N2O2
inchikey: PWDUULHZZKYTHG-UHFFFAOYSA-N
norman_susdat_id: NS00064676
pubchem_cid: 21149785
smiles: [Cl-].O=C(NCCC[N+](C)(CC=1C=CC=CC1)CCO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C31H56N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30;/h17-19,22-23,34H,3-16,20-21,24-29H2,1-2H3;1H


name: Sodium 1-dodecyl-5-oxopyrrolidine-3-carboxylate
cas: 94108-38-0
formula: C17H31NO3.Na
inchikey: DFICTAHXWKTJSE-UHFFFAOYSA-M
norman_susdat_id: NS00092042
smiles: [Na+].CCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-]
inchi:
InChI=1/C17H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19;/h15H,2-14H2,1H3,(H,20,21);/q;+1/p-1


name: Sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
cas: 94108-40-4
formula: C23H43NO3.Na
inchikey: XGBGMIKUOCPNFA-UHFFFAOYSA-M
norman_susdat_id: NS00092287
smiles: [Na+].CCCCCCCCCCCCCCCCCCN1CC(CC1=O)C(=O)[O-]
inchi:
InChI=1/C23H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25;/h21H,2-20H2,1H3,(H,26,27);/q;+1/p-1


name: Sodium (Z)-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylate
cas: 94108-42-6
formula: C23H41NO3.Na
inchikey: HYWZHNDAUMQTKO-KVVVOXFISA-M
norman_susdat_id: NS00091993
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCCN1CC(CC1=O)C(=O)[O-]
inchi:
InChI=1/C23H41NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25;/h9-10,21H,2-8,11-20H2,1H3,(H,26,27);/q;+1/p-1


name: Methyl (Z)-1-(octadec-9-enyl)-5-oxopyrrolidine-3-carboxylate
cas: 94108-43-7
formula: C24H43NO3
inchikey: IGYHVXBJVMNSAV-KHPPLWFESA-N
norman_susdat_id: NS00065470
pubchem_cid: 20833814
smiles: O=C(OC)C1CC(=O)N(CCCCCCCCC=CCCCCCCCC)C1
inchi:
InChI=1/C24H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-22(20-23(25)26)24(27)28-2/h10-11,22H,3-9,12-21H2,1-2H3


name: 1-docosyl-5-oxopyrrolidine-3-carboxylic acid
cas: 94108-44-8
dtxsid: DTXSID60916456
formula: C27H51NO3
inchikey: NSLDDIQOCNOPTR-UHFFFAOYSA-N
norman_susdat_id: NS00064719
pubchem_cid: 3023567
smiles: O=C1N(CCCCCCCCCCCCCCCCCCCCCC)CC(C(=O)O)C1
inchi:
InChI=1/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h25H,2-24H2,1H3,(H,30,31)


name: 1-(docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid
cas: 94108-45-9
formula: C27H49NO3
inchikey: CDCVCKDFKJKQJN-UHFFFAOYSA-N
norman_susdat_id: NS00064720
pubchem_cid: 3023568
smiles: O=C1N(CCCCCCCCCCCCC=CCCCCCCCC)CC(C(=O)O)C1
inchi:
InChI=1/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-24-25(27(30)31)23-26(28)29/h9-10,25H,2-8,11-24H2,1H3,(H,30,31)


cas: 94108-47-1
formula: C25H21N6O5
inchikey: DCXYWOIHDVPNQU-UHFFFAOYSA-N
norman_susdat_id: NS00064721
pubchem_cid: 3023570
smiles: O=C(N)NC1=CC=CC(=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4[N+](=O)[O-])C)=C2O
name:
N-[3-[(aminocarbonyl)amino]phenyl]-3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]naphthalene-2-carboxamide

inchi:
InChI=1/C25H20N6O5/c1-14-9-10-20(21(11-14)31(35)36)29-30-22-18-8-3-2-5-15(18)12-19(23(22)32)24(33)27-16-6-4-7-17(13-16)28-25(26)34/h2-13,32H,1H3,(H,27,33)(H3,26,28,34)


name: Azelaic acid, compound with 2-aminoethanol (1:2)
cas: 94108-49-3
formula: C9H16O4.2C2H7NO
inchikey: AMKDJHBIUBRITP-UHFFFAOYSA-N
norman_susdat_id: NS00092296
smiles: NCCO.NCCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.2C2H7NO/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*3-1-2-4/h1-7H2,(H,10,11)(H,12,13);2*4H,1-3H2


name: ((2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridin-5-yl)methyl) hydrogen succinate
cas: 94108-52-8
chemspiderid: 21166758
dtxsid: DTXSID70240577
formula: C15H19N1O6
inchikey: QXAWEIDCMROCDU-UHFFFAOYSA-N
norman_susdat_id: NS00040053
pubchem_cid: 44149290
smiles: Cc1ncc(COC(=O)CCC(=O)O)c2c1OC(C)(C)OC2
inchi:
InChI=1S/C15H19NO6/c1-9-14-11(8-21-15(2,3)22-14)10(6-16-9)7-20-13(19)5-4-12(17)18/h6H,4-5,7-8H2,1-3H3,(H,17,18)


name: Methyl 2-[[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]amino]benzoate
cas: 94108-53-9
formula: C18H23NO2
inchikey: LPLMQHGEVCUOSL-UHFFFAOYSA-N
norman_susdat_id: NS00064722
pubchem_cid: 3023572
smiles: O=C(OC)C=1C=CC=CC1N=CCC2CC=C(C)C2(C)C
inchi:
InChI=1/C18H23NO2/c1-13-9-10-14(18(13,2)3)11-12-19-16-8-6-5-7-15(16)17(20)21-4/h5-9,12,14H,10-11H2,1-4H3


name: Betaine a-D-glucofuranuronate
cas: 94108-60-8
dtxsid: DTXSID20916452
formula: C6H10O7
inchikey: QPYCRBIYNBYSDQ-JETIKSQDSA-M
norman_susdat_id: NS00064723
pubchem_cid: NA
smiles: O=C([O-])C[N+](C)(C)C.O=C([O-])C(O)C1OC(O)C(O)C1O
inchi:
InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-6(2,3)4-5(7)8/h1-4,6-9,12H,(H,10,11);4H2,1-3H3/p-1


name: a-D-glucofuranuronic acid, compound with 2,2'-iminobis[ethanol] (1:1)
cas: 94108-62-0
formula: C6H10O7.C4H11NO2
inchikey: WEHFQARCVNRHKK-JETIKSQDSA-N
norman_susdat_id: NS00092298
smiles: OCCNCCO.O[C@@H]([C@H]1O[C@H](O)[C@H](O)[C@H]1O)C(=O)O
inchi:
InChI=1/C6H10O7.C4H11NO2/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;6-3-1-5-2-4-7/h1-4,6-9,12H,(H,10,11);5-7H,1-4H2


name: 4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
cas: 94108-64-2
formula: C17H30O2
inchikey: VGKUDTFPDSFCFQ-UHFFFAOYSA-N
norman_susdat_id: NS00065471
pubchem_cid: 3023576
smiles: OCC=CC(O)(CC)CCC1C(=CCCC1(C)C)C
inchi:
InChI=1/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3


name: 1-benzyl-2-henicosyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 94108-66-4
dtxsid: DTXSID60916451
formula: C33H59N2O
inchikey: YVEGUVHIATZFPU-UHFFFAOYSA-M
norman_susdat_id: NS00064277
pubchem_cid: 44150485
smiles: [Cl-].OCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCCCC)CC=2C=CC=CC2
inchi:
InChI=1/C33H59N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-34-27-28-35(33,29-30-36)31-32-24-21-20-22-25-32;/h20-22,24-25,36H,2-19,23,26-31H2,1H3;1H/q+1;/p-1


name: Sodium (Z)-3-[2-[2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionate
cas: 94108-69-7
formula: C25H46N2O3
inchikey: JTTGPWBSDIKCQU-KVVVOXFISA-M
norman_susdat_id: NS00064278
pubchem_cid: NA
smiles: [Na+].O=C([O-])CCOCCN1C(=NCC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H46N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;/h9-10H,2-8,11-23H2,1H3,(H,28,29);/q;+1/p-1


name: 1,4-Anhydro-D-glucitol 3,5,6-triacetate
cas: 94108-70-0
chemspiderid: 21166764
dtxsid: DTXSID40240584
formula: C12H18O8
inchikey: MOTDKJOPTZYSEJ-IRCOFANPSA-N
norman_susdat_id: NS00040055
pubchem_cid: 56841177
smiles: CC(=O)OC[C@@H](OC(C)=O)[C@H]1OC[C@H](O)[C@H]1OC(C)=O
inchi:
InChI=1S/C12H18O8/c1-6(13)17-5-10(19-7(2)14)12-11(20-8(3)15)9(16)4-18-12/h9-12,16H,4-5H2,1-3H3/t9-,10+,11+,12+/m0/s1


name: D-Glucitol 1,3,4,5,6-pentalaurate
cas: 94108-71-1
chemspiderid: 21166765
dtxsid: DTXSID00240585
formula: C66H124O11
inchikey: SIEDUZNVHFJQQF-LVOMGTGVSA-N
norman_susdat_id: NS00040056
pubchem_cid: 44145778
inchi:
InChI=1S/C66H124O11/c1-6-11-16-21-26-31-36-41-46-51-60(68)73-56-58(67)65(76-63(71)54-49-44-39-34-29-24-19-14-9-4)66(77-64(72)55-50-45-40-35-30-25-20-15-10-5)59(75-62(70)53-48-43-38-33-28-23-18-13-8-3)57-74-61(69)52-47-42-37-32-27-22-17-12-7-2/h58-59,65-67H,6-57H2,1-5H3/t58-,59+,65+,66+/m0/s1

smiles:
CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](OC(=O)CCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC


name: Bis[2-[2-(decyloxy)ethoxy]ethyl] hydrogen phosphate, compound with dodecane-1,12-diamine (2:1)
cas: 94108-74-4
dtxsid: DTXSID20240587
formula: C28H59O8P
inchikey: QRNJFSUMKAVHJB-UHFFFAOYSA-N
norman_susdat_id: NS00064279
pubchem_cid: 44147366
inchi:
InChI=1/2C28H59O8P.C12H28N2/c2*1-3-5-7-9-11-13-15-17-19-31-21-23-33-25-27-35-37(29,30)36-28-26-34-24-22-32-20-18-16-14-12-10-8-6-4-2;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h2*3-28H2,1-2H3,(H,29,30);1-14H2

smiles:
O=P(O)(OCCOCCOCCCCCCCCCC)OCCOCCOCCCCCCCCCC.O=P(O)(OCCOCCOCCCCCCCCCC)OCCOCCOCCCCCCCCCC.NCCCCCCCCCCCCN


name: 3-[4,5-dihydro-4-[(2-methoxy-p-tolyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide
cas: 94108-81-3
formula: C18H19N5O4S
inchikey: WGIUGLIAGCYZFY-UHFFFAOYSA-N
norman_susdat_id: NS00064280
pubchem_cid: 3023580
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2OC)C)C3=CC=CC(=C3)S(=O)(=O)N
inchi:
InChI=1/C18H19N5O4S/c1-11-7-8-15(16(9-11)27-3)20-21-17-12(2)22-23(18(17)24)13-5-4-6-14(10-13)28(19,25)26/h4-10,17H,1-3H3,(H2,19,25,26)


name: 7-Hydroxy-2-oxo-N-phenyl-2H-1-benzopyran-3-carboxamide
cas: 94108-86-8
chemspiderid: 4542601
dtxsid: DTXSID10240591
formula: C16H11N1O4
inchikey: BSNFVFFEEGERCW-UHFFFAOYSA-N
norman_susdat_id: NS00040058
pubchem_cid: 5400404
smiles: Oc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
inchi:
InChI=1S/C16H11NO4/c18-12-7-6-10-8-13(16(20)21-14(10)9-12)15(19)17-11-4-2-1-3-5-11/h1-9,18H,(H,17,19)


name: (2-hydroxyethyl)ammonium 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionate
cas: 94108-87-9
formula: C25H48N2O3.C2H7NO
inchikey: GRVBVJGBFCOGMJ-UHFFFAOYSA-N
norman_susdat_id: NS00092067
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[NH3+]CCO
inchi:
InChI=1/C25H48N2O3.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;3-1-2-4/h2-23H2,1H3,(H,28,29);4H,1-3H2


cas: 94108-92-6
formula: C33H28N6O9S2
inchikey: LHYFMMXBRLXCJL-UHFFFAOYSA-N
norman_susdat_id: NS00065500
pubchem_cid: NA
name:
7-[[3-(acetylamino)benzoyl]amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C33H28N6O9S2/c1-18-13-25(36-37-29-12-9-26(14-19(29)2)49(43,44)45)8-11-28(18)38-39-31-30(50(46,47)48)17-22-16-24(7-10-27(22)32(31)41)35-33(42)21-5-4-6-23(15-21)34-20(3)40/h4-17,41H,1-3H3,(H,34,40)(H,35,42)(H,43,44,45)(H,46,47,48)

smiles:
O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4C)S(=O)(=O)O)C=C3C)C2O)S(=O)(=O)O)C=5C=CC=C(C5)NC(=O)C


name: Methyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)beta-alaninate
cas: 94108-94-8
chemspiderid: 21166772
dtxsid: DTXSID10240596
formula: C20H21Br1N6O8
inchikey: PBUMZYFAPJBJMW-OCOZRVBESA-N
norman_susdat_id: NS00040059
pubchem_cid: NA
smiles: CCOC1=C(NCCC(=O)OC)C=C(NC(C)=O)C(=C1)N=NC1=C(C=C(C=C1Br)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1S/C20H21BrN6O8/c1-4-35-18-10-15(14(23-11(2)28)9-16(18)22-6-5-19(29)34-3)24-25-20-13(21)7-12(26(30)31)8-17(20)27(32)33/h7-10,22H,4-6H2,1-3H3,(H,23,28)


name: Ditrimethylolpropane tetraacrylate
cas: 94108-97-1
chemspiderid: 152972
dtxsid: DTXSID7072969
formula: C24H34O9
inchikey: XRMBQHTWUBGQDN-UHFFFAOYSA-N
norman_susdat_id: NS00007643
pubchem_cid: 175585
smiles: CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
inchi:
InChI=1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3


cas: 94109-02-1
formula: C16H13ClN5O7S
inchikey: SKTQCDDLKDZUTB-UHFFFAOYSA-M
norman_susdat_id: NS00064312
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2O)[N+](=O)[O-])C3=CC(=CC=C3Cl)S(=O)(=O)[O-]
name:
Sodium 4-chloro-3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C16H12ClN5O7S.Na/c1-8-15(19-18-12-5-2-9(22(25)26)6-14(12)23)16(24)21(20-8)13-7-10(30(27,28)29)3-4-11(13)17;/h2-7,15,23H,1H3,(H,27,28,29);/q;+1/p-1


cas: 94109-04-3
formula: C13H16N6O2
inchikey: UAWRWOFKIQNAHB-UHFFFAOYSA-N
norman_susdat_id: NS00064332
pubchem_cid: 44153884
smiles: O=C(O)C.O=C1N(N=C(C)C1N=NC2=CC(=CC=C2OC)C)C(=N)N
name:
4,5-dihydro-4-[(2-methoxy-5-methylphenyl)azo]-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate

inchi:
InChI=1/C13H16N6O2.C2H4O2/c1-7-4-5-10(21-3)9(6-7)16-17-11-8(2)18-19(12(11)20)13(14)15;1-2(3)4/h4-6,11H,1-3H3,(H3,14,15);1H3,(H,3,4)


name: Behenamide MEA
cas: 94109-05-4
chebiid: CHEBI:146186
chemspiderid: 2289737
dtxsid: DTXSID90240599
formula: C24H49N1O2
inchikey: XHFWUECSNJWBJU-UHFFFAOYSA-N
norman_susdat_id: NS00013391
pubchem_cid: 3023585
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO
inchi:
InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)


name: (Z)-N-(2-hydroxypropyl)docos-13-enamide
cas: 94109-06-5
formula: C25H49NO2
inchikey: HTWTUPXWDNHQBL-KHPPLWFESA-N
norman_susdat_id: NS00064333
pubchem_cid: 20836322
smiles: O=C(NCC(O)C)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-23-24(2)27/h10-11,24,27H,3-9,12-23H2,1-2H3,(H,26,28)


name: Dodecyl hydrogen azelate
cas: 94109-08-7
chemspiderid: 7996888
dtxsid: DTXSID00240601
formula: C21H40O4
inchikey: FIQPWWYQZYPWCG-UHFFFAOYSA-N
norman_susdat_id: NS00040060
pubchem_cid: 9821139
smiles: CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O
inchi:
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-13-16-19-25-21(24)18-15-12-10-11-14-17-20(22)23/h2-19H2,1H3,(H,22,23)


name: Tri(tridecyl) benzene-1,2,4-tricarboxylate
cas: 94109-09-8
chemspiderid: 2289739
dtxsid: DTXSID60240602
formula: C48H84O6
inchikey: RKPOLXDFMLKRHE-UHFFFAOYSA-N
norman_susdat_id: NS00014168
pubchem_cid: 3023588
smiles: CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCC)c(c1)C(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C48H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-39-52-46(49)43-37-38-44(47(50)53-40-35-32-29-26-23-20-17-14-11-8-5-2)45(42-43)48(51)54-41-36-33-30-27-24-21-18-15-12-9-6-3/h37-38,42H,4-36,39-41H2,1-3H3


name: (Z)-N-cyclohexyl-N-(1-oxo-9-octadecenyl)glycine
cas: 94109-10-1
formula: C26H47NO3
inchikey: DIZJYGAQZVSKEJ-KTKRTIGZSA-N
norman_susdat_id: NS00064178
pubchem_cid: 20836323
smiles: O=C(O)CN(C(=O)CCCCCCCC=CCCCCCCCC)C1CCCCC1
inchi:
InChI=1/C26H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)27(23-26(29)30)24-20-17-16-18-21-24/h9-10,24H,2-8,11-23H2,1H3,(H,29,30)


name: Calcium octadecyl adipate
cas: 94109-12-3
formula: C24H46O4.1/2Ca
inchikey: QVNRJGRAFRYGSL-UHFFFAOYSA-M
norman_susdat_id: NS00092007
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)[O-]
inchi:
InChI=1/C24H46O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24(27)21-18-17-20-23(25)26;/h2-22H2,1H3,(H,25,26);/q;+2/p-1


name: 3-[a-(hydroxymethyl)benzyl]-2-iminiothiazolidinium sulphate
cas: 94109-13-4
formula: C11H14N2OS.H2O4S
inchikey: MEWZKPHDGJFKOA-UHFFFAOYSA-N
norman_susdat_id: NS00092008
smiles: OCC([NH+]1CCSC1=[NH2+])c2ccccc2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C11H14N2OS.H2O4S/c12-11-13(6-7-15-11)10(8-14)9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12,14H,6-8H2;(H2,1,2,3,4)


name: 2-Heptadecylidene-4-hexadecyloxetan-3-one
cas: 94109-14-5
chemspiderid: 17215693
dtxsid: DTXSID6029838
formula: C36H68O2
inchikey: JITFPKAUEWZAOD-LAPDZXRHNA-N
norman_susdat_id: NS00040062
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCCCC=C1OC(CCCCCCCCCCCCCCCC)C1=O
inchi:
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37)34(38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/b35-33+/t34-/m0/s1


name: Tetrakis(2-hydroxyethyl)ammonium stearate
cas: 94109-15-6
formula: C18H35O2.C8H20NO4
inchikey: HKWINVFGQLOGBS-UHFFFAOYSA-M
norman_susdat_id: NS00092330
smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[N+](CCO)(CCO)CCO
inchi:
InChI=1/C18H36O2.C8H20NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10-5-1-9(2-6-11,3-7-12)4-8-13/h2-17H2,1H3,(H,19,20);10-13H,1-8H2/q;+1/p-1


name: 2-[[(2-ethylhexyl)methylamino]carbonyl]benzoic acid
cas: 94109-17-8
formula: C17H25NO3
inchikey: HPUSQEZAYXCVSP-UHFFFAOYSA-N
norman_susdat_id: NS00064212
pubchem_cid: 15800895
smiles: O=C(O)C=1C=CC=CC1C(=O)N(C)CC(CC)CCCC
inchi:
InChI=1/C17H25NO3/c1-4-6-9-13(5-2)12-18(3)16(19)14-10-7-8-11-15(14)17(20)21/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,21)


name: 2,3-bis(2,4-dimethylphenoxy)propan-1-ol
cas: 94109-20-3
dtxsid: DTXSID30916443
formula: C19H24O3
inchikey: LNIPKNVYCLDKBU-UHFFFAOYSA-N
norman_susdat_id: NS00065501
pubchem_cid: 3023593
smiles: OCC(OC1=CC=C(C=C1C)C)COC2=CC=C(C=C2C)C
inchi:
InChI=1/C19H24O3/c1-13-5-7-18(15(3)9-13)21-12-17(11-20)22-19-8-6-14(2)10-16(19)4/h5-10,17,20H,11-12H2,1-4H3


name: Tribarium bis[4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]
cas: 94109-21-4
formula: C16H11ClN2O10S3
inchikey: MVNYNYMEDUJMFW-UHFFFAOYSA-H
norman_susdat_id: NS00065502
pubchem_cid: 136086317
inchi:
InChI=1/2C16H11ClN2O10S3.3Ba/c2*17-12-4-1-9(7-13(12)31(24,25)26)18-19-15-11-3-2-10(30(21,22)23)5-8(11)6-14(16(15)20)32(27,28)29;;;/h2*1-7,20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;;3*+2/p-6

smiles:
[Ba+2].[Ba+2].[Ba+2].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC=C(Cl)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC=C(Cl)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: 4-(cyclohexylamino)-7H-benzo[e]perimidin-7-one
cas: 94109-22-5
dtxsid: DTXSID70916442
formula: C21H19N3O
inchikey: KRCWONXHCZHJKH-UHFFFAOYSA-N
norman_susdat_id: NS00064764
pubchem_cid: 57356501
smiles: O=C1C=2C=CC=CC2C3=NC=NC4=C(C=CC1=C43)NC5CCCCC5
inchi:
InChI=1/C21H19N3O/c25-21-15-9-5-4-8-14(15)19-18-16(21)10-11-17(20(18)23-12-22-19)24-13-6-2-1-3-7-13/h4-5,8-13,24H,1-3,6-7H2


name: 1-[(5,7-dichloro-1,9-dihydro-9-oxo-2-phenylpyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone
cas: 94109-23-6
formula: C30H15Cl2N5O3
inchikey: KXPOFBJZOCBLSG-UHFFFAOYSA-N
norman_susdat_id: NS00065529
pubchem_cid: 136086319
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC=4C5=NC=6C(Cl)=CC(Cl)=CC6C(=O)N5NC4C=7C=CC=CC7)=CC=CC13
inchi:
InChI=1/C30H15Cl2N5O3/c31-16-13-20-25(21(32)14-16)33-29-26(24(36-37(29)30(20)40)15-7-2-1-3-8-15)35-34-22-12-6-11-19-23(22)28(39)18-10-5-4-9-17(18)27(19)38/h1-14,36H


cas: 94109-24-7
formula: C21H13ClN6O3
inchikey: NUAQEANIKUBDAC-UHFFFAOYSA-N
norman_susdat_id: NS00065530
pubchem_cid: 135755758
smiles: N#CC=1C(=O)NC(O)=C(N=NC=2C=CC(Cl)=CC2C3=NC(=NO3)C=4C=CC=CC4)C1C
name:
5-[[4-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C21H13ClN6O3/c1-11-15(10-23)19(29)25-20(30)17(11)27-26-16-8-7-13(22)9-14(16)21-24-18(28-31-21)12-5-3-2-4-6-12/h2-9H,1H3,(H2,25,29,30)


name: Sodium 3-[(8-hydroxyquinolin-7-yl)azo]benzenesulphonate
cas: 94109-25-8
formula: C15H11N3O4S
inchikey: FBPOUMYQGBSUCS-UHFFFAOYSA-M
norman_susdat_id: NS00064213
pubchem_cid: 3023595
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC=2C=CC3=CC=CN=C3C2O)C1
inchi:
InChI=1/C15H11N3O4S.Na/c19-15-13(7-6-10-3-2-8-16-14(10)15)18-17-11-4-1-5-12(9-11)23(20,21)22;/h1-9,19H,(H,20,21,22);/q;+1/p-1


name: N-(4-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide
cas: 94109-26-9
formula: C18H18ClN4O6
inchikey: MHMHZXRIMSWENT-UHFFFAOYSA-N
norman_susdat_id: NS00065531
pubchem_cid: 3023596
smiles: O=C(NC1=CC=C(Cl)C=C1OC)C(N=NC2=CC=C(C=C2OC)[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C18H17ClN4O6/c1-10(24)17(18(25)20-13-6-4-11(19)8-15(13)28-2)22-21-14-7-5-12(23(26)27)9-16(14)29-3/h4-9,17H,1-3H3,(H,20,25)


name: 4,4'-[(1,3-dioxodisiloxane-1,3-diyl)diethylene]bis(benzenesulphonic) acid
cas: 94109-27-0
dtxsid: DTXSID20240608
formula: C16H18O9S2Si2
inchikey: SIQYGNVXWINPEU-UHFFFAOYSA-N
norman_susdat_id: NS00065533
pubchem_cid: 56841179
smiles: O=[Si](O[Si](=O)CCC1=CC=C(C=C1)S(=O)(=O)O)CCC2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C16H18O9S2Si2/c17-26(18,19)15-5-1-13(2-6-15)9-11-28(23)25-29(24)12-10-14-3-7-16(8-4-14)27(20,21)22/h1-8H,9-12H2,(H,17,18,19)(H,20,21,22)


cas: 94109-28-1
dtxsid: DTXSID80240609
formula: C30H72O13Si4Sn
inchikey: GTYIOBJDILSBAS-UHFFFAOYSA-N
norman_susdat_id: NS00064220
pubchem_cid: 44148627
smiles: O(CC)[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Sn](CCCC)(CCCC)CCCC
name:
12,12-dibutyl-4,4,6,6,8,8,10,10-octaethoxy-3,5,7,9,11-pentaoxa-4,6,8,10-tetrasila-12-stannahexadecane

inchi:
InChI=1/C18H45O13Si4.3C4H9.Sn/c1-10-20-32(19,21-11-2)29-34(25-15-6,26-16-7)31-35(27-17-8,28-18-9)30-33(22-12-3,23-13-4)24-14-5;3*1-3-4-2;/h10-18H2,1-9H3;3*1,3-4H2,2H3;/q-1;;;;+1/rC30H72O13Si4Sn/c1-13-25-28-48(29-26-14-2,30-27-15-3)43-47(38-23-11,39-24-12)42-46(36-21-9,37-22-10)41-45(34-19-7,35-20-8)40-44(31-16-4,32-17-5)33-18-6/h13-30H2,1-12H3


name: Methyl (8-amino-9,10-dihydro-5-hydroxy-9,10-dioxo-4-((4-phenoxyphenyl)amino)-1-anthryl)carbamate
cas: 94109-29-2
chemspiderid: 2289745
dtxsid: DTXSID90240610
formula: C28H21N3O6
inchikey: MYYKTKYFWDMXSC-UHFFFAOYSA-N
norman_susdat_id: NS00040065
pubchem_cid: 3023597
smiles: COC(=O)Nc1c2C(=O)c3c(N)ccc(O)c3C(=O)c2c(Nc2ccc(Oc3ccccc3)cc2)cc1
inchi:
InChI=1S/C28H21N3O6/c1-36-28(35)31-20-13-12-19(30-15-7-9-17(10-8-15)37-16-5-3-2-4-6-16)23-24(20)26(33)22-18(29)11-14-21(32)25(22)27(23)34/h2-14,30,32H,29H2,1H3,(H,31,35)


name: 7-[(tributylstannyl)oxy]-tetrasiloxane-1,1,1,3,3,5,5,7,7-nonol
cas: 94109-31-6
dtxsid: DTXSID50240611
formula: C12H36O13Si4Sn
inchikey: ABHRQDGSFRAAKL-UHFFFAOYSA-N
norman_susdat_id: NS00064334
pubchem_cid: 44146428
smiles: O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O[Si](O)(O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/3C4H9.H9O13Si4.Sn/c3*1-3-4-2;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6;/h3*1,3-4H2,2H3;1-5,7-10H;/q;;;-1;+1/rC12H36O13Si4Sn/c1-4-7-10-30(11-8-5-2,12-9-6-3)25-29(20,21)24-28(18,19)23-27(16,17)22-26(13,14)15/h13-21H,4-12H2,1-3H3


name: 4,4'-(Carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis(naphthalene-2,7-disulphonic) acid
cas: 94109-33-8
chemspiderid: 21166786
dtxsid: DTXSID10240612
formula: C37H32N6O15S4
inchikey: BUGYOHVXIJNUHI-IZRQRQPJSA-N
norman_susdat_id: NS00040066
pubchem_cid: NA
inchi:
InChI=1S/C37H32N6O15S4/c1-19-9-33(35(57-3)17-29(19)40-42-31-15-25(61(51,52)53)13-21-11-23(59(45,46)47)5-7-27(21)31)38-37(44)39-34-10-20(2)30(18-36(34)58-4)41-43-32-16-26(62(54,55)56)14-22-12-24(60(48,49)50)6-8-28(22)32/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b42-40+,43-41+

smiles:
COC1=C(NC(=O)NC2=C(OC)C=C(N=NC3=C4C=CC(=CC4=CC(=C3)S(O)(=O)=O)S(O)(=O)=O)C(C)=C2)C=C(C)C(=C1)N=NC1=C2C=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O


name: Tetrakis[bicyclo[2.2.1]hept-2-ylmethyl] orthosilicate
cas: 94109-36-1
dtxsid: DTXSID80916438
formula: C32H52O4Si
inchikey: BZEAMUVUGJOBIB-UHFFFAOYSA-N
norman_susdat_id: NS00064236
pubchem_cid: 44150988
smiles: O(CC1CC2CCC1C2)[Si](OCC3CC4CCC3C4)(OCC5CC6CCC5C6)OCC7CC8CCC7C8
inchi:
InChI=1/C32H52O4Si/c1-5-25-9-21(1)13-29(25)17-33-37(34-18-30-14-22-2-6-26(30)10-22,35-19-31-15-23-3-7-27(31)11-23)36-20-32-16-24-4-8-28(32)12-24/h21-32H,1-20H2


cas: 94109-42-9
formula: C29H23ClN4O16S5
inchikey: DWOJMZMDRAJSRP-UHFFFAOYSA-J
norman_susdat_id: NS00064335
pubchem_cid: 135612799
name:
Tetrasodium 2-[[8-[[[[3-[(2-chloroethyl)sulphonyl]phenyl]amino]carbonyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C29H23ClN4O16S5.4Na/c30-9-10-51(37,38)17-4-1-3-16(13-17)31-29(36)32-22-14-18(52(39,40)41)11-15-12-24(54(45,46)47)26(27(35)25(15)22)34-33-21-8-7-19-20(28(21)55(48,49)50)5-2-6-23(19)53(42,43)44;;;;/h1-8,11-14,35H,9-10H2,(H2,31,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=CC(=C1)S(=O)(=O)CCCl)NC2=CC(=CC3=CC(=C(N=NC4=CC=C5C(C=CC=C5S(=O)(=O)[O-])=C4S(=O)(=O)[O-])C(O)=C32)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 94109-43-0
formula: C29H24N4O16S6
inchikey: UWODZAFZRXYXLD-UHFFFAOYSA-J
norman_susdat_id: NS00064336
pubchem_cid: 135755761
name:
Tetrasodium 4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]-5-[[[[3-[[2-(sulphonatothio)ethyl]sulphonyl]phenyl]amino]carbonyl]amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C29H24N4O16S6.4Na/c34-27-25-17(13-24(53(41,42)43)26(27)33-32-22-9-8-16-4-1-2-7-21(16)28(22)54(44,45)46)12-20(52(38,39)40)15-23(25)31-29(35)30-18-5-3-6-19(14-18)51(36,37)11-10-50-55(47,48)49;;;;/h1-9,12-15,34H,10-11H2,(H2,30,31,35)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=CC(=C1)S(=O)(=O)CCSS(=O)(=O)[O-])NC2=CC(=CC3=CC(=C(N=NC=4C=CC=5C=CC=CC5C4S(=O)(=O)[O-])C(O)=C32)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Sodium 2-[[2-[(16-methylheptadecanoyl)oxy]propionyl]oxy]propionate
cas: 94109-51-0
formula: C24H44O6.Na
inchikey: FOSNFLMXYRQNAF-UHFFFAOYSA-M
norman_susdat_id: NS00091821
smiles: [Na+].CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C24H44O6.Na/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)29-21(4)24(28)30-20(3)23(26)27;/h19-21H,5-18H2,1-4H3,(H,26,27);/q;+1/p-1


name: Dioctadecyl malate
cas: 94109-53-2
dtxsid: DTXSID80916433
formula: C40H78O5
inchikey: PNSDHQDPDMOPCP-UHFFFAOYSA-N
norman_susdat_id: NS00063663
pubchem_cid: 3023603
smiles: O=C(OCCCCCCCCCCCCCCCCCC)CC(O)C(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3


name: 3-(docosylamino)propiononitrile
cas: 94109-54-3
dtxsid: DTXSID20916432
formula: C25H50N2
inchikey: LHWCMSVFDYDFMV-UHFFFAOYSA-N
norman_susdat_id: NS00064182
pubchem_cid: 3023604
smiles: N#CCCNCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H50N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26/h27H,2-22,24-25H2,1H3


name: Bis[benzyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate
cas: 94109-60-1
formula: C18H21NO3
inchikey: JBVHZLPYBQHUQH-UHFFFAOYSA-N
norman_susdat_id: NS00063664
pubchem_cid: 44149157
inchi:
InChI=1/2C18H21NO3.H2O4S/c2*1-13(2)19(11-14-6-4-3-5-7-14)12-18(22)15-8-16(20)10-17(21)9-15;1-5(2,3)4/h2*3-10,13,20-21H,11-12H2,1-2H3;(H2,1,2,3,4)

smiles:
O=C(C=1C=C(O)C=C(O)C1)C[NH+](CC=2C=CC=CC2)C(C)C.O=C(C=1C=C(O)C=C(O)C1)C[NH+](CC=2C=CC=CC2)C(C)C.O=S(=O)([O-])[O-]


name: Bis[benzyl-tert-butyl[2-(3,5-dihydroxyphenyl)-2-oxoethyl]ammonium] sulphate
cas: 94109-62-3
dtxsid: DTXSID60916431
formula: C19H23NO3
inchikey: ONKMOYRCSWGGBN-UHFFFAOYSA-N
norman_susdat_id: NS00064183
pubchem_cid: 57356512
inchi:
InChI=1/2C19H23NO3.H2O4S/c2*1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15;1-5(2,3)4/h2*4-11,21-22H,12-13H2,1-3H3;(H2,1,2,3,4)

smiles:
O=C(C=1C=C(O)C=C(O)C1)C[NH+](CC=2C=CC=CC2)C(C)(C)C.O=C(C=1C=C(O)C=C(O)C1)C[NH+](CC=2C=CC=CC2)C(C)(C)C.O=S(=O)([O-])[O-]


name: N-(2,6-dichlorophenyl)-4,5-dihydro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazol-2-amine
cas: 94109-64-5
dtxsid: DTXSID90916429
formula: C14H17Cl2N3O
inchikey: OVDYQESYGJDCSB-UHFFFAOYSA-N
norman_susdat_id: NS00063677
pubchem_cid: 3023607
smiles: ClC1=CC=CC(Cl)=C1NC2=NCCN2C3OCCCC3
inchi:
InChI=1/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)18-14-17-7-8-19(14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)


name: N-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]aniline (p-tolylsulphonate)
cas: 94109-69-0
formula: C21H18N2O
inchikey: BKRVMZRUTFTRPB-UHFFFAOYSA-N
norman_susdat_id: NS00063799
pubchem_cid: 71430915
smiles: O=S(=O)(O)C1=CC=C(C=C1)C.N(=CC=C1OC=2C=3C=CC=CC3C=CC2N1CC)C=4C=CC=CC4
inchi:
InChI=1/C21H18N2O.C7H8O3S/c1-2-23-19-13-12-16-8-6-7-11-18(16)21(19)24-20(23)14-15-22-17-9-4-3-5-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,2H2,1H3;2-5H,1H3,(H,8,9,10)


name: N-(6-Ethoxybenzothiazol-2-yl)-2-mercaptoacetamide
cas: 94109-71-4
chemspiderid: 2289754
dtxsid: DTXSID00240621
formula: C11H12N2O2S2
inchikey: PENUZPQXEOSXGJ-UHFFFAOYSA-N
norman_susdat_id: NS00040072
pubchem_cid: 3023608
smiles: CCOc1ccc2nc(NC(=O)CS)sc2c1
inchi:
InChI=1S/C11H12N2O2S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)13-10(14)6-16/h3-5,16H,2,6H2,1H3,(H,12,13,14)


name: 3-ethyl-4,5-dihydro-2-methylthiazolium toluene-p-sulphonate
cas: 94109-72-5
formula: C7H7O3S.C6H12NS
inchikey: XFQZVBXNXUMYPU-UHFFFAOYSA-M
norman_susdat_id: NS00092458
smiles: CC[N+]1=C(C)SCC1.Cc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C7H8O3S.C6H12NS/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-7-4-5-8-6(7)2/h2-5H,1H3,(H,8,9,10);3-5H2,1-2H3/q;+1/p-1


cas: 94109-73-6
dtxsid: DTXSID30916428
formula: C35H44Cl2N2O5
inchikey: YISSXYXYPLFKGN-UHFFFAOYSA-N
norman_susdat_id: NS00063800
pubchem_cid: 3023609
smiles: O=C(NC1=CC(Cl)=C(C(Cl)=C1O)C)COC2=CC=C(C=C2)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CC
name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[2-[(3,5-dichloro-2-hydroxy-p-tolyl)amino]-2-oxoethoxy]phenyl]butyramide

inchi:
InChI=1/C35H44Cl2N2O5/c1-9-28(44-29-17-12-22(34(5,6)10-2)18-25(29)35(7,8)11-3)33(42)38-23-13-15-24(16-14-23)43-20-30(40)39-27-19-26(36)21(4)31(37)32(27)41/h12-19,28,41H,9-11,20H2,1-8H3,(H,38,42)(H,39,40)


name: S-[2-[(6-ethoxy-2-benzothiazolyl)amino]-2-oxoethyl] ethanethioate
cas: 94109-76-9
dtxsid: DTXSID80240624
formula: C13H14N2O3S2
inchikey: VACOUTTXFKATCV-UHFFFAOYSA-N
norman_susdat_id: NS00063678
pubchem_cid: 16205984
smiles: O=C(SCC(=O)NC1=NC=2C=CC(OCC)=CC2S1)C
inchi:
InChI=1/C13H14N2O3S2/c1-3-18-9-4-5-10-11(6-9)20-13(14-10)15-12(17)7-19-8(2)16/h4-6H,3,7H2,1-2H3,(H,14,15,17)


name: 3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)thioxanthene)-3-one
cas: 94109-78-1
chemspiderid: 9362215
dtxsid: DTXSID40240625
formula: C20H12O4S1
inchikey: PTTMNOGNUQNMFO-UHFFFAOYSA-N
norman_susdat_id: NS00040074
pubchem_cid: 11187131
smiles: Oc1ccc2c(Sc3cc(O)ccc3C32OC(=O)c2ccccc32)c1
inchi:
InChI=1S/C20H12O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)24-20/h1-10,21-22H


cas: 94109-83-8
dtxsid: DTXSID60240627
formula: C25H17Na3O9
inchikey: ZDBJKKOCDJJYFL-UHFFFAOYSA-K
norman_susdat_id: NS00093680
name:
5-((3-Carboxy-4-hydroxy-5-tolyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-3-methyl-salicylic acid, sodium salt

inchi:
InChI=1S/C25H20O9.3Na/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34;;;/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CC1=CC(=CC(C(O)=O)=C1[O-])C(C1=CC(C([O-])=O)=C([O-])C(C)=C1)=C1/C=C(C)C(=O)C(=C1)C(O)=O


name: 6-[[4-(diethylamino)-2-methoxyphenyl]azo]-3-methoxy-1-methylpyridazinium chloride
cas: 94109-85-0
dtxsid: DTXSID20240628
formula: C17H24N5O2
inchikey: CKAKYNSXMITSGB-UHFFFAOYSA-M
norman_susdat_id: NS00065038
pubchem_cid: 16205985
smiles: [Cl-].N(=NC1=CC=C(N=[N+]1C)OC)C2=CC=C(C=C2OC)N(CC)CC
inchi:
InChI=1/C17H24N5O2.ClH/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;1H/q+1;/p-1


name: 1,1'-(Dodecane-1,12-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 94109-90-7
chemspiderid: 21166795
dtxsid: DTXSID80240629
formula: C18H32N6O2
inchikey: OFVQFDHHQIACDB-UHFFFAOYSA-N
norman_susdat_id: NS00040075
pubchem_cid: 44145564
smiles: NC1=NC(=O)CN1CCCCCCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C18H32N6O2/c19-17-21-15(25)13-23(17)11-9-7-5-3-1-2-4-6-8-10-12-24-14-16(26)22-18(24)20/h1-14H2,(H2,19,21,25)(H2,20,22,26)


name: 1,1'-(Octane-1,8-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 94109-91-8
chemspiderid: 21166796
dtxsid: DTXSID90240630
formula: C14H24N6O2
inchikey: STMUEQIOHMKRDF-UHFFFAOYSA-N
norman_susdat_id: NS00040076
pubchem_cid: 44145351
smiles: NC1=NC(=O)CN1CCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C14H24N6O2/c15-13-17-11(21)9-19(13)7-5-3-1-2-4-6-8-20-10-12(22)18-14(20)16/h1-10H2,(H2,15,17,21)(H2,16,18,22)


name: 1,1'-(Hexane-1,6-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 94109-92-9
chemspiderid: 34997503
dtxsid: DTXSID50240631
formula: C12H20N6O2
inchikey: FDLNENRFEVFHQZ-UHFFFAOYSA-N
norman_susdat_id: NS00040077
pubchem_cid: 44150492
smiles: NC1=NC(=O)CN1CCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C12H20N6O2/c13-11-15-9(19)7-17(11)5-3-1-2-4-6-18-8-10(20)16-12(18)14/h1-8H2,(H2,13,15,19)(H2,14,16,20)


name: 1,1'-(Butane-1,4-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 94109-93-0
chemspiderid: 21166797
dtxsid: DTXSID10240632
formula: C10H16N6O2
inchikey: HDAJWRXMTWQMJB-UHFFFAOYSA-N
norman_susdat_id: NS00040078
pubchem_cid: 44145543
smiles: NC1=NC(=O)CN1CCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C10H16N6O2/c11-9-13-7(17)5-15(9)3-1-2-4-16-6-8(18)14-10(16)12/h1-6H2,(H2,11,13,17)(H2,12,14,18)


name: 11-Methyldodecyl salicylate
cas: 94110-04-0
chemspiderid: 2289756
dtxsid: DTXSID90240635
formula: C20H32O3
inchikey: GJXOYLAGGXLISX-UHFFFAOYSA-N
norman_susdat_id: NS00040080
pubchem_cid: 3023611
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccccc1O
inchi:
InChI=1S/C20H32O3/c1-17(2)13-9-7-5-3-4-6-8-12-16-23-20(22)18-14-10-11-15-19(18)21/h10-11,14-15,17,21H,3-9,12-13,16H2,1-2H3


name: 4-(1,3-dioxo-3-phenylpropyl)-3-hydroxyphenyl benzoate, potassium salt
cas: 94110-06-2
dtxsid: DTXSID10240637
formula: C22H16O5
inchikey: IJKLVIDAISTSRB-UHFFFAOYSA-N
norman_susdat_id: NS00063803
pubchem_cid: 231143
smiles: [K+].O=C(OC1=CC=C(C(O)=C1)C(=O)CC(=O)C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C22H16O5.K/c23-19(15-7-3-1-4-8-15)14-21(25)18-12-11-17(13-20(18)24)27-22(26)16-9-5-2-6-10-16;/h1-13,24H,14H2;/q;+1


name: 2-(2,4-Dimethylphenyl)-6-nitro-1H-benz(de)isoquinoline-1,3(2H)-dione
cas: 94110-12-0
chemspiderid: 725668
dtxsid: DTXSID30240639
formula: C20H14N2O4
inchikey: SUJZKVRSVRWPAQ-UHFFFAOYSA-N
norman_susdat_id: NS00040082
pubchem_cid: 830860
smiles: CC1=CC(C)=C(C=C1)N1C(=O)C2=CC=CC3=C(C=CC(C1=O)=C23)[N+]([O-])=O
inchi:
InChI=1S/C20H14N2O4/c1-11-6-8-16(12(2)10-11)21-19(23)14-5-3-4-13-17(22(25)26)9-7-15(18(13)14)20(21)24/h3-10H,1-2H3


name: Sodium 1-amino-4-(2,6-dimethylanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 94110-13-1
dtxsid: DTXSID40240640
formula: C22H18N2O5S
inchikey: JDQZWLNDFVMQMT-UHFFFAOYSA-M
norman_susdat_id: NS00063705
pubchem_cid: 3023613
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C(=CC=CC4C)C
inchi:
InChI=1/C22H18N2O5S.Na/c1-11-6-5-7-12(2)20(11)24-15-10-16(30(27,28)29)19(23)18-17(15)21(25)13-8-3-4-9-14(13)22(18)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: Icosyl hydrogen sulphate, compound with diethylamine (1:1)
cas: 94110-16-4
formula: C20H42O4S.C4H11N
inchikey: LFAYCFLTCVPAPL-UHFFFAOYSA-N
norman_susdat_id: NS00091776
smiles: CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CCNCC
inchi:
InChI=1/C20H42O4S.C4H11N/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;1-3-5-4-2/h2-20H2,1H3,(H,21,22,23);5H,3-4H2,1-2H3


name: Diethylammonium octadecyl sulphate
cas: 94110-17-5
formula: C18H38O4S.C4H11N
inchikey: SDGWRBIFSZNMMS-UHFFFAOYSA-N
norman_susdat_id: NS00092465
smiles: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C18H38O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-5-4-2/h2-18H2,1H3,(H,19,20,21);5H,3-4H2,1-2H3


name: Diethylammonium hexadecyl sulphate
cas: 94110-18-6
formula: C16H34O4S.C4H11N
inchikey: MADASEMXYZRAQW-UHFFFAOYSA-N
norman_susdat_id: NS00091837
smiles: CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C16H34O4S.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-5-4-2/h2-16H2,1H3,(H,17,18,19);5H,3-4H2,1-2H3


name: [2-[3-[2-hydroxy-5-[(phenylsulphonyl)amino]phenyl]-3-oxo-1-propenyl]phenoxy]acetic acid
cas: 94113-29-8
formula: C23H19NO7S
inchikey: KBTTYCJNTVGMIL-UHFFFAOYSA-N
norman_susdat_id: NS00064202
pubchem_cid: NA
smiles: O=C(O)COC=1C=CC=CC1C=CC(=O)C2=CC(=CC=C2O)NS(=O)(=O)C=3C=CC=CC3
inchi:
InChI=1/C23H19NO7S/c25-20(12-10-16-6-4-5-9-22(16)31-15-23(27)28)19-14-17(11-13-21(19)26)24-32(29,30)18-7-2-1-3-8-18/h1-14,24,26H,15H2,(H,27,28)


name: N-[2-[(2-aminoethyl)amino]ethyl]dodecanamide monoacetate
cas: 94113-39-0
formula: C16H35N3O.C2H4O2
inchikey: XBXQLPNTJQNSQD-UHFFFAOYSA-N
norman_susdat_id: NS00092033
smiles: CCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O
inchi:
InChI=1/C16H35N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17;1-2(3)4/h18H,2-15,17H2,1H3,(H,19,20);1H3,(H,3,4)


name: N-[2-[(2-aminoethyl)amino]ethyl]myristamide monoacetate
cas: 94113-40-3
formula: C18H39N3O.C2H4O2
inchikey: CHXXMRQMCKXMMB-UHFFFAOYSA-N
norman_susdat_id: NS00092470
smiles: CCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O
inchi:
InChI=1/C18H39N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-16-20-15-14-19;1-2(3)4/h20H,2-17,19H2,1H3,(H,21,22);1H3,(H,3,4)


name: N-[2-[(2-aminoethyl)amino]ethyl]palmitamide monoacetate
cas: 94113-41-4
formula: C20H43N3O.C2H4O2
inchikey: TXAGXHVJHVCANS-UHFFFAOYSA-N
norman_susdat_id: NS00091777
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O
inchi:
InChI=1/C20H43N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)23-19-18-22-17-16-21;1-2(3)4/h22H,2-19,21H2,1H3,(H,23,24);1H3,(H,3,4)


name: N-[2-[(2-aminoethyl)amino]ethyl]octadec-9-enamide monoacetate
cas: 94113-42-5
formula: C22H45N3O.C2H4O2
inchikey: WMZUOZRHKFCKEK-UHFFFAOYSA-N
norman_susdat_id: NS00091778
smiles: O=C(NCCNCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O
inchi:
InChI=1/C22H45N3O.C2H4O2/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;1-2(3)4/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26);1H3,(H,3,4)


name: a,ß,ß-trimethylcyclohexylpropyl acetate
cas: 94113-43-6
dtxsid: DTXSID20916417
formula: C26H46O2
inchikey: ORLXCQPHYBJUGK-UHFFFAOYSA-N
norman_susdat_id: NS00064221
pubchem_cid: NA
smiles: O=C(OC(C1(C)CCCCC1)C(C)(C2(C)CCCCC2)C3(C)CCCCC3)C
inchi:
InChI=1/C26H46O2/c1-21(27)28-22(23(2)15-9-6-10-16-23)26(5,24(3)17-11-7-12-18-24)25(4)19-13-8-14-20-25/h22H,6-20H2,1-5H3


name: N-(3-(Octadecyloxy)propyl)-beta-alanine
cas: 94113-46-9
chemspiderid: 21166811
dtxsid: DTXSID00240646
formula: C24H49N1O3
inchikey: KUXTXLYINCAPMS-UHFFFAOYSA-N
norman_susdat_id: NS00040083
pubchem_cid: 44147446
smiles: CCCCCCCCCCCCCCCCCCOCCCNCCC(=O)O
inchi:
InChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-23-18-20-25-21-19-24(26)27/h25H,2-23H2,1H3,(H,26,27)


name: 2,8-dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide
cas: 94113-52-7
dtxsid: DTXSID80916413
formula: C19H13N3O5S
inchikey: CQRMCOMDICABOL-UHFFFAOYSA-N
norman_susdat_id: NS00065067
pubchem_cid: 44153540
smiles: O=[N+]([O-])C1=CC=C2C(N=C(C=3C=CC=CC3)C=4C=C(C=CC4S2=O)[N+](=O)[O-])=C1
inchi:
InChI=1/C19H11N3O5S/c23-21(24)13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)20-16-11-14(22(25)26)7-9-18(16)28(17)27/h1-11H


name: (diphenylarsino)dimethylgallium
cas: 94113-53-8
formula: C14H16AsGa
inchikey: UHJHAVIAOTYGPP-UHFFFAOYSA-N
norman_susdat_id: NS00092471
smiles: C[Ga](C)[As](c1ccccc1)c2ccccc2
inchi:
InChI=1/C12H10As.2CH3.Ga/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1/rC14H16AsGa/c1-16(2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3


name: (diphenylphosphino)dimethylindium
cas: 94113-54-9
formula: C14H16InP
inchikey: KRQHBDOOQHLFLO-UHFFFAOYSA-N
norman_susdat_id: NS00091849
smiles: C[In](C)P(c1ccccc1)c2ccccc2
inchi:
InChI=1/C12H10P.2CH3.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1-10H;2*1H3;/q-1;;;+1/rC14H16InP/c1-15(2)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3


name: 4'-bromo-a-(4-chlorophenyl)-a-[(dimethylamino)methyl][1,1'-biphenyl]-4-methanol
cas: 94113-55-0
dtxsid: DTXSID20916412
formula: C22H21BrClNO
inchikey: OFFPTPYCGCGSMN-UHFFFAOYSA-N
norman_susdat_id: NS00064222
pubchem_cid: 44148992
smiles: ClC1=CC=C(C=C1)C(O)(C2=CC=C(C=C2)C=3C=CC(Br)=CC3)CN(C)C
inchi:
InChI=1/C22H21BrClNO/c1-25(2)15-22(26,19-9-13-21(24)14-10-19)18-7-3-16(4-8-18)17-5-11-20(23)12-6-17/h3-14,26H,15H2,1-2H3


name: Disodium 4-(acetylamino)-5-hydroxy-6-(phenylazo)naphthalene-1,7-disulphonate
cas: 94113-57-2
formula: C18H15N3O8S2
inchikey: RLLNZXVKBYGKIP-UHFFFAOYSA-L
norman_susdat_id: NS00063733
pubchem_cid: 175587
smiles: [Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C
inchi:
InChI=1/C18H15N3O8S2.2Na/c1-10(22)19-13-7-8-14(30(24,25)26)12-9-15(31(27,28)29)17(18(23)16(12)13)21-20-11-5-3-2-4-6-11;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: N,N'-[[(2-chloro-2-hydroxyethyl)imino]bis(ethane-1,2-diyliminoethane-1,2-diyl)]distearamide
cas: 94113-58-3
dtxsid: DTXSID60916411
formula: C46H94ClN5O3
inchikey: XAHDNAHCMDTAQF-UHFFFAOYSA-N
norman_susdat_id: NS00065068
pubchem_cid: 57356519
smiles: O=C(NCCNCCN(CCNCCNC(=O)CCCCCCCCCCCCCCCCC)CC(Cl)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H94ClN5O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45(54)50-37-35-48-39-41-52(43-44(47)53)42-40-49-36-38-51-46(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,48-49,53H,3-43H2,1-2H3,(H,50,54)(H,51,55)


cas: 94113-59-4
formula: C27H44O11S
inchikey: NNAPJFGRZUSHRW-UHFFFAOYSA-L
norman_susdat_id: NS00065069
pubchem_cid: 57356520
smiles: [Na+].[Na+].O=C(OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])CCCCCCCC=CCC=CCC=CCC
name:
Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadeca-9,12,15-trienyl)oxy]propyl] 2-sulphonatosuccinate

inchi:
InChI=1/C27H44O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h3-4,6-7,9-10,23,28-29H,2,5,8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxohexadecyl)oxy]propyl] 2-sulphonatosuccinate
cas: 94113-60-7
dtxsid: DTXSID00916410
formula: C25H46O11S
inchikey: JQGNQHXGKLJAPJ-UHFFFAOYSA-L
norman_susdat_id: NS00065070
pubchem_cid: 11971273
smiles: [Na+].[Na+].O=C(OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])CCCCCCCCCCCCCCC
inchi:
InChI=1/C25H46O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(28)35-19-25(17-26,18-27)20-36-23(29)16-21(24(30)31)37(32,33)34;;/h21,26-27H,2-20H2,1H3,(H,30,31)(H,32,33,34);;/q;2*+1/p-2


name: 4'-bromo-a-(4-chlorophenyl)-a-vinyl-[1,1'-biphenyl]-4-methanol
cas: 94113-61-8
dtxsid: DTXSID90916409
formula: C21H16BrClO
inchikey: GNDXHAOQVVNPNN-UHFFFAOYSA-N
norman_susdat_id: NS00063734
pubchem_cid: 44152564
smiles: ClC1=CC=C(C=C1)C(O)(C=C)C2=CC=C(C=C2)C=3C=CC(Br)=CC3
inchi:
InChI=1/C21H16BrClO/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/h2-14,24H,1H2


name: 6-((1,4,5,6-Tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)amino)hexanoicacid
cas: 94113-62-9
chemspiderid: 21166822
dtxsid: DTXSID50240651
formula: C9H14N4O4
inchikey: UPPFGNUFAQBGNU-UHFFFAOYSA-N
norman_susdat_id: NS00040088
pubchem_cid: 44152873
smiles: OC(=O)CCCCCNc1nc(=O)[nH]c(=O)[nH]1
inchi:
InChI=1S/C9H14N4O4/c14-6(15)4-2-1-3-5-10-7-11-8(16)13-9(17)12-7/h1-5H2,(H,14,15)(H3,10,11,12,13,16,17)


name: Disodium 4-[2,2-bis(hydroxymethyl)-3-[(1-oxooctadec-9-enyl)oxy]propyl] 2-sulphonatosuccinate
cas: 94113-63-0
formula: C27H48O11S
inchikey: JNNZXBFWYXYBTQ-UHFFFAOYSA-L
norman_susdat_id: NS00063735
pubchem_cid: 57356522
smiles: [Na+].[Na+].O=C(OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H48O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h9-10,23,28-29H,2-8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2


name: 4,4'-(Methylenedicyclohexane-1,4-diyl)bis(1,1-dimethylsemicarbazide)
cas: 94113-65-2
chemspiderid: 21166824
dtxsid: DTXSID10240652
formula: C19H38N6O2
inchikey: SVOIFFCGMDXIDI-UHFFFAOYSA-N
norman_susdat_id: NS00040089
pubchem_cid: 12035238
smiles: CN(C)NC(=O)NC1CCC(CC2CCC(CC2)NC(=O)NN(C)C)CC1
inchi:
InChI=1S/C19H38N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h14-17H,5-13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)/t14-,15-,16-,17+


name: (9Z,12Z)-N-[2-[(2-aminoethyl)amino]ethyl]octadeca-9,12-dien-1-amide hydrochloride
cas: 94113-66-3
formula: C22H43N3O.xClH
inchikey: RGHLBNYWPWHJHD-NBTZWHCOSA-N
norman_susdat_id: NS00092034
smiles: Cl.CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCNCCN
inchi:
InChI=1/C22H43N3O.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;/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26);1H


name: 1-(2-aminoethyl)-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 94113-71-0
dtxsid: DTXSID70916407
formula: C28H59N3O
inchikey: QVNNZHAQNLZICJ-UHFFFAOYSA-N
norman_susdat_id: NS00063736
pubchem_cid: NA
smiles: [Cl-].OCCN1CC[NH+](CCN)C1CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H59N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-30(23-22-29)24-25-31(28)26-27-32;/h28,32H,2-27,29H2,1H3;1H


name: 1-(2-aminoethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium chloride
cas: 94113-72-1
dtxsid: DTXSID10916406
formula: C18H39N3O
inchikey: IKFJICUOXXCIMV-UHFFFAOYSA-N
norman_susdat_id: NS00064223
pubchem_cid: NA
smiles: [Cl-].OCCN1CC[NH+](CCN)C1CCCCCCCCCCC
inchi:
InChI=1/C18H39N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-20(13-12-19)14-15-21(18)16-17-22;/h18,22H,2-17,19H2,1H3;1H


name: Dipotassium hexadec-2-enylsuccinate
cas: 94113-73-2
formula: C20H36O4.2K
inchikey: KPIFSXBSZJIYLO-UHFFFAOYSA-L
norman_susdat_id: NS00092035
smiles: [K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C20H36O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2


cas: 94113-76-5
formula: C25H22N4O10S3
inchikey: YXKMNMHSCZNTIH-UHFFFAOYSA-L
norman_susdat_id: NS00064224
pubchem_cid: NA
name:
Disodium 5-(acetylamino)-4-hydroxy-3-[[4-methyl-2-[(phenylsulphonyl)amino]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-19(20(10-14)29-40(32,33)17-6-4-3-5-7-17)27-28-24-22(42(37,38)39)12-16-11-18(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3NS(=O)(=O)C=4C=CC=CC4)C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


name: Prosulfuron
cas: 94125-34-5
chebiid: CHEBI:8523
chemspiderid: 82849
dtxsid: DTXSID9034868
formula: C15H16F3N5O4S1
inchikey: LTUNNEGNEKBSEH-UHFFFAOYSA-N
norman_susdat_id: NS00005223
pubchem_cid: 91751
smiles: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)n1
eea_notation: CAS_94125-34-5
inchi:
InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)


name: Sorbitan, trioctanoate
cas: 94131-37-0
chemspiderid: 34998761
dtxsid: DTXSID40240665
formula: C30H54O8
inchikey: YPSQXMOPHRARAQ-LPKQAODOSA-N
norman_susdat_id: NS00040092
pubchem_cid: 44152110
smiles: CCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCC)[C@H]1OC(=O)CCCCCCC
inchi:
InChI=1S/C30H54O8/c1-4-7-10-13-16-19-26(32)36-24(22-31)29-30(38-28(34)21-18-15-12-9-6-3)25(23-35-29)37-27(33)20-17-14-11-8-5-2/h24-25,29-31H,4-23H2,1-3H3/t24-,25+,29-,30-/m1/s1


name: (1S-(1alpha,2beta,5alpha))-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
cas: 94133-41-2
chemspiderid: 2015094
dtxsid: DTXSID60240667
formula: C12H22O3
inchikey: CILPHQCEVYJUDN-AXFHLTTASA-N
norman_susdat_id: NS00040093
pubchem_cid: 2733292
smiles: CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC(=O)O
inchi:
InChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10-,11-/m0/s1


cas: 94133-45-6
dtxsid: DTXSID60916395
formula: C28H19N3O7S
inchikey: RHXWLDRGSCWNOU-UHFFFAOYSA-N
norman_susdat_id: NS00064051
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC4=CCC(N)(C=5C(=O)C=6C=CC=CC6C(=O)C45)S(=O)(=O)O
name:
1-amino-4-((4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenesulphonic acid

inchi:
InChI=1/C28H19N3O7S/c29-17-9-10-18(21-20(17)24(32)13-5-1-2-6-14(13)25(21)33)31-19-11-12-28(30,39(36,37)38)23-22(19)26(34)15-7-3-4-8-16(15)27(23)35/h1-11,31H,12,29-30H2,(H,36,37,38)


cas: 94133-47-8
chemspiderid: 21166834
dtxsid: DTXSID80240669
formula: C36H18Cl6N12O20S6
inchikey: LGGGXWROJCSNTL-UHFFFAOYSA-N
norman_susdat_id: NS00040094
pubchem_cid: 56841488
name:
6,13-Dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1S/C36H18Cl6N12O20S6/c37-17-19-23(73-21-9(45-19)1-3-11(25(21)75(55,56)57)43-13-5-7-15(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(13)77(61,62)63)18(38)20-24(17)74-22-10(46-20)2-4-12(26(22)76(58,59)60)44-14-6-8-16(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(14)78(64,65)66/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54)

smiles:
OS(=O)(=O)C1=C(NC2=C(C(=C(NC3=NC(Cl)=NC(Cl)=N3)C=C2)S(O)(=O)=O)S(O)(=O)=O)C=CC2=C1OC1=C(Cl)C3=NC4=C(OC3=C(Cl)C1=N2)C(=C(NC1=C(C(=C(NC2=NC(Cl)=NC(Cl)=N2)C=C1)S(O)(=O)=O)S(O)(=O)=O)C=C4)S(O)(=O)=O


cas: 94133-49-0
chemspiderid: 21166835
dtxsid: DTXSID90240670
formula: C36H18Cl6N12O17S5
inchikey: WNTULFIDBUTFBV-UHFFFAOYSA-N
norman_susdat_id: NS00040095
pubchem_cid: 56841489
name:
6,13-Dichloro-3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphophenyl)amino)-10-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulphophenyl)amino)triphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1S/C36H18Cl6N12O17S5/c37-19-22-26(71-24-13(47-22)4-6-15(28(24)74(61,62)63)45-16-7-8-17(48-36-53-33(41)50-34(42)54-36)30(76(67,68)69)29(16)75(64,65)66)20(38)21-25(19)70-23-12(46-21)3-5-14(27(23)73(58,59)60)44-11-2-1-10(9-18(11)72(55,56)57)43-35-51-31(39)49-32(40)52-35/h1-9,44-45H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,43,49,51,52)(H,48,50,53,54)

smiles:
OS(=O)(=O)C1=C(NC2=C(C3=C(C=C2)N=C2C(Cl)=C4OC5=C(C=CC(NC6=C(C(=C(NC7=NC(Cl)=NC(Cl)=N7)C=C6)S(O)(=O)=O)S(O)(=O)=O)=C5S(O)(=O)=O)N=C4C(Cl)=C2O3)S(O)(=O)=O)C=CC(NC2=NC(Cl)=NC(Cl)=N2)=C1


name: Diethylammonium octyl sulphate
cas: 94133-50-3
formula: C8H18O4S.C4H11N
inchikey: QKUYHGMVYZSEGO-UHFFFAOYSA-N
norman_susdat_id: NS00091329
smiles: CCCCCCCCOS(=O)(=O)[O-].CC[NH2+]CC
inchi:
InChI=1/C8H18O4S.C4H11N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3-5-4-2/h2-8H2,1H3,(H,9,10,11);5H,3-4H2,1-2H3


name: Oxalate 1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)phenanthrene-9-methanolate
cas: 94133-63-8
dtxsid: DTXSID60916390
formula: C26H30Cl2F3NO
inchikey: RJBCZMQASKVSGM-UHFFFAOYSA-L
norman_susdat_id: NS00063035
pubchem_cid: 25076587
smiles: O=C([O-])C(=O)[O-].[O-]C(C1=CC=2C(Cl)=CC(Cl)=CC2C3=CC(=CC=C31)C(F)(F)F)CCN(CCCC)CCCC
inchi:
InChI=1/C26H29Cl2F3NO.C2H2O4/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;3-1(4)2(5)6/h7-8,13-16,25H,3-6,9-12H2,1-2H3;(H,3,4)(H,5,6)/q-1;/p-2


name: 2-[2-amino-4-(trifluoromethyl)phenyl]-3-(2,4-dichlorophenyl)acrylic acid
cas: 94133-64-9
formula: C16H10Cl2F3NO2
inchikey: HLPCUGIVUZTSQH-XGICHPGQSA-N
norman_susdat_id: NS00062853
pubchem_cid: 6366448
smiles: O=C(O)C(=CC1=CC=C(Cl)C=C1Cl)C2=CC=C(C=C2N)C(F)(F)F
inchi:
InChI=1/C16H10Cl2F3NO2/c17-10-3-1-8(13(18)7-10)5-12(15(23)24)11-4-2-9(6-14(11)22)16(19,20)21/h1-7H,22H2,(H,23,24)


name: Methyl 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylate
cas: 94133-65-0
chemspiderid: 21166841
dtxsid: DTXSID30240674
formula: C17H9Cl2F3O2
inchikey: AIKJZSWXLMBBJK-UHFFFAOYSA-N
norman_susdat_id: NS00040098
pubchem_cid: 44148886
smiles: COC(=O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
inchi:
InChI=1S/C17H9Cl2F3O2/c1-24-16(23)14-7-13-12(5-9(18)6-15(13)19)11-4-8(17(20,21)22)2-3-10(11)14/h2-7H,1H3


name: 1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propane-1,3-diol
cas: 94133-69-4
dtxsid: DTXSID50916389
formula: C26H30Cl2F3NO2
inchikey: WYFARUIMFVPKFV-UHFFFAOYSA-N
norman_susdat_id: NS00063036
pubchem_cid: 3023647
smiles: FC(F)(F)C1=CC=C2C(=C1)C=3C=C(Cl)C=C(Cl)C3C=C2C(O)CC(O)N(CCCC)CCCC
inchi:
InChI=1/C26H30Cl2F3NO2/c1-3-5-9-32(10-6-4-2)25(34)15-24(33)22-14-21-20(12-17(27)13-23(21)28)19-11-16(26(29,30)31)7-8-18(19)22/h7-8,11-14,24-25,33-34H,3-6,9-10,15H2,1-2H3


name: N,N-dibutyl-1,3-dichloro-ß-hydroxy-6-(trifluoromethyl)phenanthren-9-propanamide
cas: 94133-70-7
dtxsid: DTXSID90916388
formula: C26H28Cl2F3NO2
inchikey: SGPMBCWVUOBUPW-UHFFFAOYSA-N
norman_susdat_id: NS00064071
pubchem_cid: 44146904
smiles: O=C(N(CCCC)CCCC)CC(O)C1=CC=2C(Cl)=CC(Cl)=CC2C3=CC(=CC=C31)C(F)(F)F
inchi:
InChI=1/C26H28Cl2F3NO2/c1-3-5-9-32(10-6-4-2)25(34)15-24(33)22-14-21-20(12-17(27)13-23(21)28)19-11-16(26(29,30)31)7-8-18(19)22/h7-8,11-14,24,33H,3-6,9-10,15H2,1-2H3


name: 1-acetyl-4-[4-(2,3-dihydroxypropoxy)phenyl]piperazine
cas: 94133-71-8
dtxsid: DTXSID30916387
formula: C15H22N2O4
inchikey: RSNPJZUMLUAMBE-UHFFFAOYSA-N
norman_susdat_id: NS00062855
pubchem_cid: 3023648
smiles: O=C(N1CCN(C2=CC=C(OCC(O)CO)C=C2)CC1)C
inchi:
InChI=1/C15H22N2O4/c1-12(19)16-6-8-17(9-7-16)13-2-4-15(5-3-13)21-11-14(20)10-18/h2-5,14,18,20H,6-11H2,1H3


name: 3-((3-(3-Aminophenyl)-1,3-dioxopropyl)amino)-4-methoxybenzenesulphonic acid
cas: 94133-74-1
chemspiderid: 2289770
dtxsid: DTXSID30240679
formula: C16H16N2O6S1
inchikey: HUWZJDFGTKZUCX-UHFFFAOYSA-N
norman_susdat_id: NS00040099
pubchem_cid: 3023649
smiles: COc1c(NC(=O)CC(=O)c2cc(N)ccc2)cc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C16H16N2O6S/c1-24-15-6-5-12(25(21,22)23)8-13(15)18-16(20)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9,17H2,1H3,(H,18,20)(H,21,22,23)


name: Trisundecyl phosphite
cas: 94133-78-5
dtxsid: DTXSID00240681
formula: C33H69O3P
inchikey: UKPASDNOVTUNJT-UHFFFAOYSA-N
norman_susdat_id: NS00064093
pubchem_cid: 5744265
smiles: O(P(OCCCCCCCCCCC)OCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C33H69O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-33H2,1-3H3


name: 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazolium dihydrogen phosphate
cas: 94133-85-4
formula: C13H16N2.H3O4P
inchikey: HPGQQPUQEIRXHP-UHFFFAOYSA-L
norman_susdat_id: NS00091968
smiles: [O-]P(=O)([O-])[O-].C1CC(C2=NCC[NH2+]2)c3ccccc3C1
inchi:
InChI=1/C13H16N2.H3O4P/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-5(2,3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H3,1,2,3,4)/p-2


name: 3,5,5-trimethylhexyl oleate
cas: 94133-86-5
formula: C27H52O2
inchikey: NDUUAOMVVPFOQX-YPKPFQOOSA-N
norman_susdat_id: NS00062856
pubchem_cid: 6433027
smiles: O=C(OCCC(C)CC(C)(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)29-23-22-25(2)24-27(3,4)5/h13-14,25H,6-12,15-24H2,1-5H3


cas: 94133-87-6
formula: C16H11Cl3N4O4S
inchikey: JEXQGUHOLFFCFL-UHFFFAOYSA-M
norman_susdat_id: NS00064094
pubchem_cid: 3022936
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=CC=CC2Cl)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-]
name:
Sodium 2,5-dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

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


name: Sodium 3-[[3-(dimethylamino)propyl][(perfluorooctyl)sulfonyl]amino]-2-hydroxypropanesulfonate
cas: 94133-90-1
chemspiderid: 152974
dtxsid: DTXSID9041285
formula: C16H19F17N2O6S2
inchikey: LGLNTFXAUMMBJX-QMMMGPOBSA-N
norman_susdat_id: NS00011430
pubchem_cid: 99689452
inchi:
InChI=1/C16H19F17N2O6S2.Na/c1-34(2)4-3-5-35(6-8(36)7-42(37,38)39)43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h8,36H,3-7H2,1-2H3,(H,37,38,39);/q;+1/p-1

smiles:
[Na+].C([C@@H](C[N@@](S(=O)(=O)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)CCCN(C)C)O)S(=O)(=O)[O-]


cas: 94133-91-2
dtxsid: DTXSID00881331
formula: C18H24F17N2NaO8S2
inchikey: WGHCYEUUCUZEBW-UHFFFAOYSA-M
norman_susdat_id: NS00108865
name:
3-((Perfluorooctylsulfonyl)-2-hydroxy-3-sulfopropylamino)-N-(2-hydroxyethyl)-N,N-dimethyl-1-propanaminium  monosodium hydroxide

inchi:
InChI=1/C18H23F17N2O7S2.Na.H2O/c1-37(2,6-7-38)5-3-4-36(8-10(39)9-45(40,41)42)46(43,44)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33;;/h10,38-39H,3-9H2,1-2H3;;1H2/q;+1;/p-1

smiles:
[OH-].[Na+].C[N+](C)(CCO)CCCN(CC(O)CS([O-])(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: N,N-Bis(hydroxymethyl)docosanamide
cas: 94133-93-4
chemspiderid: 2289775
dtxsid: DTXSID20240688
formula: C24H49N1O3
inchikey: ZTEZOZYPRLUDGM-UHFFFAOYSA-N
norman_susdat_id: NS00040102
pubchem_cid: 3023656
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)N(CO)CO
inchi:
InChI=1S/C24H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)25(22-26)23-27/h26-27H,2-23H2,1H3


name: Diethyl sulphate, compound with N-[2-[(2-aminoethyl)amino]ethyl]octadecanamide
cas: 94133-94-5
formula: C22H47N3O.xC2H6O4S
inchikey: FEMUCJXAWWXTAB-UHFFFAOYSA-N
norman_susdat_id: NS00091367
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CCOS(=O)(=O)OCC
inchi:
InChI=1/C22H47N3O.C4H10O4S/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;1-3-7-9(5,6)8-4-2/h24H,2-21,23H2,1H3,(H,25,26);3-4H2,1-2H3


name: 3,3'-Methylenebis(5-hydroxybenzenesulphonic) acid
cas: 94133-95-6
chemspiderid: 21166851
dtxsid: DTXSID90240690
formula: C13H12O8S2
inchikey: XPRWEHOMFVEFRM-UHFFFAOYSA-N
norman_susdat_id: NS00040103
pubchem_cid: 56841212
smiles: OC1=CC(=CC(CC2=CC(O)=CC(=C2)S(O)(=O)=O)=C1)S(O)(=O)=O
inchi:
InChI=1S/C13H12O8S2/c14-10-2-8(4-12(6-10)22(16,17)18)1-9-3-11(15)7-13(5-9)23(19,20)21/h2-7,14-15H,1H2,(H,16,17,18)(H,19,20,21)


name: Potassium 6-[methyl(phenylsulphonyl)amino]hexanoate
cas: 94134-00-6
formula: C13H19NO4S.K
inchikey: CTWVOIURYAXYBM-UHFFFAOYSA-M
norman_susdat_id: NS00092145
smiles: [K+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1
inchi:
InChI=1/C13H19NO4S.K/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);/q;+1/p-1


name: N,N-bis(carboxymethyl)glycine, compound with 2-aminoethanol (1:3)
cas: 94134-01-7
formula: C6H9NO6.3C2H7NO
inchikey: FUYYLSRRKSTFPO-UHFFFAOYSA-N
norman_susdat_id: NS00092555
smiles: NCCO.NCCO.NCCO.OC(=O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1/C6H9NO6.3C2H7NO/c8-4(9)1-7(2-5(10)11)3-6(12)13;3*3-1-2-4/h1-3H2,(H,8,9)(H,10,11)(H,12,13);3*4H,1-3H2


name: Methyl 2-[(3,7-dimethyloctylidene)amino]benzoate
cas: 94134-04-0
formula: C18H27NO2
inchikey: BHHAGTCBFIQRCK-UHFFFAOYSA-N
norman_susdat_id: NS00065222
pubchem_cid: 3023658
smiles: O=C(OC)C=1C=CC=CC1N=CCC(C)CCCC(C)C
inchi:
InChI=1/C18H27NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,10-11,13-15H,7-9,12H2,1-4H3


name: 1-acetyl-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
cas: 94134-05-1
dtxsid: DTXSID00916379
formula: C15H19Cl2NO3
inchikey: ONPFSHSWLNDJJP-UHFFFAOYSA-N
norman_susdat_id: NS00065223
pubchem_cid: 3023659
smiles: O=C(N1CCCC1CCOC=2C=C(Cl)C=C(Cl)C2OC)C
inchi:
InChI=1/C15H19Cl2NO3/c1-10(19)18-6-3-4-12(18)5-7-21-14-9-11(16)8-13(17)15(14)20-2/h8-9,12H,3-7H2,1-2H3


name: 4-acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid
cas: 94134-06-2
dtxsid: DTXSID40916378
formula: C12H15NO6S
inchikey: PLMIMTYTJYIWDL-UHFFFAOYSA-N
norman_susdat_id: NS00064414
pubchem_cid: 3023660
smiles: O=C(O)C=1C=C(C(=CC1OC)NC(=O)C)S(=O)(=O)CC
inchi:
InChI=1/C12H15NO6S/c1-4-20(17,18)11-5-8(12(15)16)10(19-3)6-9(11)13-7(2)14/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)


name: 2,3-Dimethoxy-5-(N-methylsulphamoyl)benzoic acid, anhydride with ethyl hydrogen carbonate
cas: 94134-09-5
chemspiderid: 57494865
dtxsid: DTXSID10240697
formula: C13H17N1O8S1
inchikey: KBJZPJQIRAGVPD-UHFFFAOYSA-N
norman_susdat_id: NS00040107
pubchem_cid: 44151500
smiles: CCOC(=O)OC(=O)C1=C(OC)C(OC)=CC(=C1)S(=O)(=O)NC
inchi:
InChI=1S/C13H17NO8S/c1-5-21-13(16)22-12(15)9-6-8(23(17,18)14-2)7-10(19-3)11(9)20-4/h6-7,14H,5H2,1-4H3


name: 1,1'-(Decane-1,10-diyl)bis(imidazoline-2,4-dione)
cas: 94134-10-8
chemspiderid: 57458968
dtxsid: DTXSID70240698
formula: C16H26N4O4
inchikey: QQXACZIVVABZFK-UHFFFAOYSA-N
norman_susdat_id: NS00040108
pubchem_cid: 44153304
smiles: O=C1CN(CCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C16H26N4O4/c21-13-11-19(15(23)17-13)9-7-5-3-1-2-4-6-8-10-20-12-14(22)18-16(20)24/h1-12H2,(H,17,21,23)(H,18,22,24)


name: 1,1'-(Dodecane-1,12-diyl)bisimidazolidine-2,4-dione
cas: 94134-11-9
chemspiderid: 21166857
dtxsid: DTXSID30240699
formula: C18H30N4O4
inchikey: BMYCTFIMDMGMEA-UHFFFAOYSA-N
norman_susdat_id: NS00040109
pubchem_cid: 44149058
smiles: O=C1CN(CCCCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C18H30N4O4/c23-15-13-21(17(25)19-15)11-9-7-5-3-1-2-4-6-8-10-12-22-14-16(24)20-18(22)26/h1-14H2,(H,19,23,25)(H,20,24,26)


name: 1,1'-(Hexane-1,6-diyl)bisimidazolidine-2,4-dione
cas: 94134-12-0
chemspiderid: 21166858
dtxsid: DTXSID80240700
formula: C12H18N4O4
inchikey: PVGMGWHNYDUURH-UHFFFAOYSA-N
norman_susdat_id: NS00040110
pubchem_cid: 19914424
smiles: O=C1CN(CCCCCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C12H18N4O4/c17-9-7-15(11(19)13-9)5-3-1-2-4-6-16-8-10(18)14-12(16)20/h1-8H2,(H,13,17,19)(H,14,18,20)


name: 1,1'-(Octane-1,8-diyl)bisimidazolidine-2,4-dione
cas: 94134-13-1
chemspiderid: 15140383
dtxsid: DTXSID40240701
formula: C14H22N4O4
inchikey: NQSOSHMQQKIGLG-UHFFFAOYSA-N
norman_susdat_id: NS00040111
pubchem_cid: 20530808
smiles: O=C1CN(CCCCCCCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C14H22N4O4/c19-11-9-17(13(21)15-11)7-5-3-1-2-4-6-8-18-10-12(20)16-14(18)22/h1-10H2,(H,15,19,21)(H,16,20,22)


name: 1,1'-(Butane-1,4-diyl)bisimidazolidine-2,4-dione
cas: 94134-14-2
chemspiderid: 21166859
dtxsid: DTXSID00240702
formula: C10H14N4O4
inchikey: QVCHURCDMVHMGW-UHFFFAOYSA-N
norman_susdat_id: NS00040112
pubchem_cid: 44151413
smiles: O=C1CN(CCCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C10H14N4O4/c15-7-5-13(9(17)11-7)3-1-2-4-14-6-8(16)12-10(14)18/h1-6H2,(H,11,15,17)(H,12,16,18)


name: 1,1-dimethylbiguanide citrate
cas: 94134-19-7
formula: C6H8O7.C4H11N5
inchikey: AFIHOTTTWXQFDO-UHFFFAOYSA-N
norman_susdat_id: NS00091940
smiles: CN(C)C(=N)NC(=N)N.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C6H8O7.C4H11N5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-9(2)4(7)8-3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H3,(H5,5,6,7,8)


name: Hexadecyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride
cas: 94134-21-1
dtxsid: DTXSID60916375
formula: C27H60NO3Si
inchikey: RYJVNHWSPPNQPJ-UHFFFAOYSA-M
norman_susdat_id: NS00064415
pubchem_cid: 3023664
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCC[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H60NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(5,6)26-24-27-32(29-8-2,30-9-3)31-10-4;/h7-27H2,1-6H3;1H/q+1;/p-1


name: Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(triethoxysilyl)propyl]ammonium chloride
cas: 94134-22-2
dtxsid: DTXSID00916374
formula: C17H36NO5Si
inchikey: NOWUXLXKHZEGIS-UHFFFAOYSA-M
norman_susdat_id: NS00065224
pubchem_cid: 3023666
smiles: [Cl-].O=C(OCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC)C(=C)C
inchi:
InChI=1/C17H36NO5Si.ClH/c1-8-21-24(22-9-2,23-10-3)15-11-12-18(6,7)13-14-20-17(19)16(4)5;/h4,8-15H2,1-3,5-7H3;1H/q+1;/p-1


name: 2,4-di(allyloxy)-6-(tetradecyloxy)-1,3,5-triazine
cas: 94134-23-3
dtxsid: DTXSID60240708
formula: C23H39N3O3
inchikey: RFOILQBZYJVNMC-UHFFFAOYSA-N
norman_susdat_id: NS00063897
pubchem_cid: 16205995
smiles: N=1C(=NC(=NC1OCC=C)OCCCCCCCCCCCCCC)OCC=C
inchi:
InChI=1/C23H39N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-29-23-25-21(27-18-5-2)24-22(26-23)28-19-6-3/h5-6H,2-4,7-20H2,1H3


name: (2,3-dihydroxypropyl)(2-hydroxyoctyl)dimethylammonium toluene-p-sulphonate
cas: 94134-24-4
dtxsid: DTXSID40916373
formula: C13H30NO3
inchikey: YTHWXMVRUPETGQ-UHFFFAOYSA-M
norman_susdat_id: NS00064032
pubchem_cid: 44151938
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OCC(O)C[N+](C)(C)CC(O)CCCCCC
inchi:
InChI=1/C13H30NO3.C7H8O3S/c1-4-5-6-7-8-12(16)9-14(2,3)10-13(17)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h12-13,15-17H,4-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Bis[2-hydroxy-3-[4-(oxiranylmethoxy)butoxy]propyl] azelate
cas: 94134-29-9
dtxsid: DTXSID50916369
formula: C29H52O12
inchikey: KKPLFCFDTANTRW-UHFFFAOYSA-N
norman_susdat_id: NS00063923
pubchem_cid: 44145887
smiles: O=C(OCC(O)COCCCCOCC1OC1)CCCCCCCC(=O)OCC(O)COCCCCOCC2OC2
inchi:
InChI=1/C29H52O12/c30-24(16-34-12-6-8-14-36-20-26-22-38-26)18-40-28(32)10-4-2-1-3-5-11-29(33)41-19-25(31)17-35-13-7-9-15-37-21-27-23-39-27/h24-27,30-31H,1-23H2


name: 2-(((4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)carbonyl)benzoic acid
cas: 94134-30-2
chemspiderid: 889438
dtxsid: DTXSID30240710
formula: C20H18N4O5S1
inchikey: ASNQBPSYZGXIDK-UHFFFAOYSA-N
norman_susdat_id: NS00040116
pubchem_cid: 1034587
smiles: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3c(cccc3)C(=O)O)cc2)n1
inchi:
InChI=1S/C20H18N4O5S/c1-12-11-13(2)22-20(21-12)24-30(28,29)15-9-7-14(8-10-15)23-18(25)16-5-3-4-6-17(16)19(26)27/h3-11H,1-2H3,(H,23,25)(H,26,27)(H,21,22,24)


name: 2-Ethoxy-5-(4,5-dihydro-3-heptadecyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
cas: 94134-36-8
chemspiderid: 2289788
dtxsid: DTXSID90240711
formula: C28H46N2O5S1
inchikey: MBDGSYNKUXTZRA-UHFFFAOYSA-N
norman_susdat_id: NS00040117
pubchem_cid: 3023672
smiles: CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1cc(c(OCC)cc1)S(=O)(=O)O
inchi:
InChI=1S/C28H46N2O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-28(31)30(29-24)25-20-21-26(35-4-2)27(23-25)36(32,33)34/h20-21,23H,3-19,22H2,1-2H3,(H,32,33,34)


name: Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulphonate
cas: 94134-37-9
formula: C16H15N2O8S
inchikey: LMKXLWOKWIILGQ-UHFFFAOYSA-M
norman_susdat_id: NS00065259
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC(=CC=C1OC)S(=O)(=O)[O-])CC(=O)C2=CC=CC(=C2)[N+](=O)[O-]
inchi:
InChI=1/C16H14N2O8S.Na/c1-26-15-6-5-12(27(23,24)25)8-13(15)17-16(20)9-14(19)10-3-2-4-11(7-10)18(21)22;/h2-8H,9H2,1H3,(H,17,20)(H,23,24,25);/q;+1/p-1


name: 1-[(3,7-dimethyl-2,6-octadienyl)oxy]-3-phenylpropane-1,2-diol
cas: 94134-39-1
formula: C19H28O3
inchikey: UMLPGGUXQFSKHT-UHFFFAOYSA-N
norman_susdat_id: NS00065260
pubchem_cid: 3023674
smiles: OC(OCC=C(C)CCC=C(C)C)C(O)CC=1C=CC=CC1
inchi:
InChI=1/C19H28O3/c1-15(2)8-7-9-16(3)12-13-22-19(21)18(20)14-17-10-5-4-6-11-17/h4-6,8,10-12,18-21H,7,9,13-14H2,1-3H3


name: 1-[bis(2-phenylethoxy)methyl]-4-methoxybenzene
cas: 94134-42-6
dtxsid: DTXSID50240712
formula: C24H26O3
inchikey: MCHNHTONQUYDHQ-UHFFFAOYSA-N
norman_susdat_id: NS00064074
pubchem_cid: 3023675
smiles: O(C1=CC=C(C=C1)C(OCCC=2C=CC=CC2)OCCC=3C=CC=CC3)C
inchi:
InChI=1/C24H26O3/c1-25-23-14-12-22(13-15-23)24(26-18-16-20-8-4-2-5-9-20)27-19-17-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3


name: 2,2'-[heptylidenebis(thiomethylene)]bisfuran
cas: 94134-43-7
dtxsid: DTXSID10240713
formula: C17H24O2S2
inchikey: VIWIRDPFLLRHDY-UHFFFAOYSA-N
norman_susdat_id: NS00064456
pubchem_cid: 44148185
smiles: O1C=CC=C1CSC(SCC=2OC=CC2)CCCCCC
inchi:
InChI=1/C17H24O2S2/c1-2-3-4-5-10-17(20-13-15-8-6-11-18-15)21-14-16-9-7-12-19-16/h6-9,11-12,17H,2-5,10,13-14H2,1H3


name: Bis(3,7-dimethyloctyl) oxalate
cas: 94134-44-8
dtxsid: DTXSID30916362
formula: C22H42O4
inchikey: JOXPDGWFATYEII-UHFFFAOYSA-N
norman_susdat_id: NS00064457
pubchem_cid: 3023676
smiles: O=C(OCCC(C)CCCC(C)C)C(=O)OCCC(C)CCCC(C)C
inchi:
InChI=1/C22H42O4/c1-17(2)9-7-11-19(5)13-15-25-21(23)22(24)26-16-14-20(6)12-8-10-18(3)4/h17-20H,7-16H2,1-6H3


cas: 94134-51-7
formula: C40H29N7O15S4
inchikey: KBRYLTBCMXFYQO-UHFFFAOYSA-J
norman_susdat_id: NS00063952
pubchem_cid: NA
name:
Tetrasodium 3-[[4-[[8-[[1-[(anilino)carbonyl]-2-oxopropyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C40H29N7O15S4.4Na/c1-21(48)37(40(50)41-23-8-3-2-4-9-23)46-45-32-20-25(63(51,52)53)16-22-17-35(66(60,61)62)38(39(49)36(22)32)47-44-31-15-14-30(26-10-5-6-11-27(26)31)43-42-24-18-29-28(34(19-24)65(57,58)59)12-7-13-33(29)64(54,55)56;;;;/h2-20,37,49H,1H3,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=CC1)C(N=NC2=CC(=CC3=CC(=C(N=NC4=CC=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C=7C=CC=CC47)C(O)=C23)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C


name: Tetrapotassium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 94134-52-8
formula: C26H20N4O8S2.4K
inchikey: WXNVJTYFSVUJPD-DZKCXPLLSA-J
norman_susdat_id: NS00092172
inchi:
InChI=1/2C26H20N4O8S2.4K/c2*31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h2*1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;;4*+1/p-4

smiles:
[K+].[K+].[K+].[K+].Oc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(O)cc3)c(c4)S([O-])(=O)=O.Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4


cas: 94134-53-9
formula: C43H48O24
inchikey: JORTXHRNTWNZKS-PVPSQCKNSA-K
norman_susdat_id: NS00064458
pubchem_cid: NA
name:
4,5,7-triacetoxy-2-[3,4-bis(acetoxy)phenyl]-4H-1-benzopyran-3-yl-6-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranoside triacetate

inchi:
InChI=1/C43H47O24.3C2H4O2/c1-16-35(61-21(6)48)39(63-23(8)50)41(64-24(9)51)43(56-16)55-15-31-33(52)34(53)38(42(54)66-31)67-40-36(25-10-11-27(58-18(3)45)28(12-25)59-19(4)46)65-30-14-26(57-17(2)44)13-29(60-20(5)47)32(30)37(40)62-22(7)49;3*1-2(3)4/h10-14,16,31,33-35,37-39,41-43,52-53H,15H2,1-9H3;3*1H3,(H,3,4)/q-1;;;/p-3

smiles:
O=C([O-])C.O=C([O-])C.O=C([O-])C.O=C(OC=1C=C(OC(=O)C)C2=C(OC(C=3C=CC(OC(=O)C)=C(OC(=O)C)C3)=C(OC4C([O-])OC(COC5OC(C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)C(O)C4O)C2OC(=O)C)C1)C


name: 5,5-dibutyl-3,3,7,7-tetramethoxy-2,4,6,8-tetraoxa-3,7-disila-5-stannanonane
cas: 94134-56-2
dtxsid: DTXSID10240718
formula: C14H36O8Si2Sn
inchikey: KDBDGXGCXZIIDT-UHFFFAOYSA-N
norman_susdat_id: NS00064075
pubchem_cid: NA
smiles: O(C)[Si](OC)(OC)O[Sn](O[Si](OC)(OC)OC)(CCCC)CCCC
inchi:
InChI=1/2C4H9.2C3H9O4Si.Sn/c2*1-3-4-2;2*1-5-8(4,6-2)7-3;/h2*1,3-4H2,2H3;2*1-3H3;/q;;2*-1;+2/rC14H36O8Si2Sn/c1-9-11-13-25(14-12-10-2,21-23(15-3,16-4)17-5)22-24(18-6,19-7)20-8/h9-14H2,1-8H3


name: (3a,16a)-eburnamenin-14(15H)-one phosphate (1:1)
cas: 94134-60-8
formula: C19H22N2O.H3O4P
inchikey: RVHMKJRPCKDXCS-VOMIJIAVSA-K
norman_susdat_id: NS00091961
smiles: CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C19H22N2O.H3O4P/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20;1-5(2,3)4/h3-4,6-7,18H,2,5,8-12H2,1H3;(H3,1,2,3,4)/p-3


name: Formic acid, compound with N-[3-[(3-aminopropyl)amino]propyl]stearamide (1:1)
cas: 94134-61-9
formula: C24H51N3O.CH2O2
inchikey: WAXFGDSCGVNGGC-UHFFFAOYSA-N
norman_susdat_id: NS00092173
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN.OC=O
inchi:
InChI=1/C24H51N3O.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)27-23-18-22-26-21-17-20-25;2-1-3/h26H,2-23,25H2,1H3,(H,27,28);1H,(H,2,3)


name: 2-(4-(Hydroxyamino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
cas: 94134-62-0
chemspiderid: 2289797
dtxsid: DTXSID40240721
formula: C31H47N3O4S1
inchikey: CEMPPTOFZHZONA-UHFFFAOYSA-N
norman_susdat_id: NS00040122
pubchem_cid: 3023682
smiles: CCCCCCCCCCCCCCCCCCn1c2ccc(cc2nc1c1ccc(NO)cc1)S(=O)(=O)O
inchi:
InChI=1S/C31H47N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(39(36,37)38)25-29(30)32-31(34)26-18-20-27(33-35)21-19-26/h18-23,25,33,35H,2-17,24H2,1H3,(H,36,37,38)


name: N-(2-Chloro-4,5-dimethoxyphenyl)-3-(p-(hexadecyloxy)phenyl)-3-oxopropionamide
cas: 94134-63-1
chemspiderid: 2289798
dtxsid: DTXSID00240722
formula: C33H48Cl1N1O5
inchikey: MNDAUHXRSYFGQF-UHFFFAOYSA-N
norman_susdat_id: NS00040123
pubchem_cid: 3023683
smiles: CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)Nc1c(Cl)cc(OC)c(OC)c1
inchi:
InChI=1S/C33H48ClNO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-27-20-18-26(19-21-27)30(36)25-33(37)35-29-24-32(39-3)31(38-2)23-28(29)34/h18-21,23-24H,4-17,22,25H2,1-3H3,(H,35,37)


cas: 94134-64-2
dtxsid: DTXSID20916356
formula: C40H54ClN5O7
inchikey: VXCAQHXZOMRRMG-UHFFFAOYSA-N
norman_susdat_id: NS00063954
pubchem_cid: 44146777
smiles: O=C1C2=C(N=CN2C(C(=O)NC=3C=C(OC)C(OC)=CC3Cl)C(=O)C4=CC=C(OCCCCCCCCCCCCCCCC)C=C4)N(C(=O)N1C)C
name:
N-(2-chloro-4,5-dimethoxyphenyl)-a-[4-(hexadecyloxy)benzoyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide

inchi:
InChI=1/C40H54ClN5O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-53-29-22-20-28(21-23-29)36(47)34(38(48)43-31-26-33(52-5)32(51-4)25-30(31)41)46-27-42-37-35(46)39(49)45(3)40(50)44(37)2/h20-23,25-27,34H,6-19,24H2,1-5H3,(H,43,48)


name: Sodium 5-acetyl-2-(hexadecyloxy)benzenesulphonate
cas: 94134-65-3
dtxsid: DTXSID60240723
formula: C24H40O5S
inchikey: LXLBWODRGWJMLM-UHFFFAOYSA-M
norman_susdat_id: NS00064459
pubchem_cid: 3023685
smiles: [Na+].O=C(C1=CC=C(OCCCCCCCCCCCCCCCC)C(=C1)S(=O)(=O)[O-])C
inchi:
InChI=1/C24H40O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23-18-17-22(21(2)25)20-24(23)30(26,27)28;/h17-18,20H,3-16,19H2,1-2H3,(H,26,27,28);/q;+1/p-1


name: Sodium 3-[[[ethyl[(ethylamino)thioxomethyl]amino]thioxomethyl]thio]propanesulphonate
cas: 94134-70-0
dtxsid: DTXSID80240725
formula: C9H18N2O3S4
inchikey: HVUSVXAJKWEJGA-UHFFFAOYSA-M
norman_susdat_id: NS00064461
pubchem_cid: 3023687
smiles: [Na+].O=S(=O)([O-])CCCSC(=S)N(C(=S)NCC)CC
inchi:
InChI=1/C9H18N2O3S4.Na/c1-3-10-8(15)11(4-2)9(16)17-6-5-7-18(12,13)14;/h3-7H2,1-2H3,(H,10,15)(H,12,13,14);/q;+1/p-1


name: 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid
cas: 94134-71-1
chemspiderid: 2289803
dtxsid: DTXSID40240726
formula: C30H51N3O4
inchikey: NUPDHZKEMXVLFC-UHFFFAOYSA-N
norman_susdat_id: NS00040124
pubchem_cid: 3023688
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C30H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(34)32-24-22-31-23-25-33-29(35)26-19-17-18-20-27(26)30(36)37/h17-20,31H,2-16,21-25H2,1H3,(H,32,34)(H,33,35)(H,36,37)


name: 4-[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]-4-oxoisocrotonic acid
cas: 94134-72-2
formula: C44H83N3O5
inchikey: CPSMCDQRTMYVMW-KXYMVQBMSA-N
norman_susdat_id: NS00063955
pubchem_cid: 6433028
smiles: O=C(O)C=CC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C44H83N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(48)45-37-39-47(43(50)35-36-44(51)52)40-38-46-42(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-40H2,1-2H3,(H,45,48)(H,46,49)(H,51,52)


name: 4-oxo-4-[[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]amino]isocrotonic acid
cas: 94134-73-3
formula: C26H49N3O4
inchikey: XKOTZLQWWQQTLQ-HNENSFHCSA-N
norman_susdat_id: NS00064096
pubchem_cid: 6433029
smiles: O=C(O)C=CC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28-22-20-27-21-23-29-25(31)18-19-26(32)33/h18-19,27H,2-17,20-23H2,1H3,(H,28,30)(H,29,31)(H,32,33)


name: Salicylic acid, compound with 3-(2,5-dimethyl-1-pyrrolidinyl)propyl salicylate (1:1)
cas: 94134-75-5
formula: C16H23NO3.C7H6O3
inchikey: DWXRUZDBZCCIRV-UHFFFAOYSA-N
norman_susdat_id: NS00092174
smiles: CC1CCC(C)N1CCCOC(=O)c2ccccc2O.OC(=O)c3ccccc3O
inchi:
InChI=1/C16H23NO3.C7H6O3/c1-12-8-9-13(2)17(12)10-5-11-20-16(19)14-6-3-4-7-15(14)18;8-6-4-2-1-3-5(6)7(9)10/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3;1-4,8H,(H,9,10)


name: 1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)allyl phenylacetate
cas: 94134-77-7
formula: C21H28O2
inchikey: NSLVGUNYRZBFJP-OUKQBFOZSA-N
norman_susdat_id: NS00064472
pubchem_cid: 16206000
smiles: O=C(OC(C=CC1=C(C)CCCC1(C)C)C)CC=2C=CC=CC2
inchi:
InChI=1/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-15H2,1-4H3


name: 4-(Diphenoxymethyl)-2-methoxyphenol
cas: 94134-78-8
chemspiderid: 2289805
dtxsid: DTXSID60240728
formula: C20H18O4
inchikey: FKHMCEUDQOCNQU-UHFFFAOYSA-N
norman_susdat_id: NS00040126
pubchem_cid: 3023692
smiles: COc1c(O)ccc(c1)C(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C20H18O4/c1-22-19-14-15(12-13-18(19)21)20(23-16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-14,20-21H,1H3


name: 1,1-Bis(2-(carbamoylamino)ethyl)-3-octadecylurea
cas: 94134-81-3
chemspiderid: 2289807
dtxsid: DTXSID30240730
formula: C25H52N6O3
inchikey: VVVFBPLCHYHUKF-UHFFFAOYSA-N
norman_susdat_id: NS00040128
pubchem_cid: 3023694
smiles: CCCCCCCCCCCCCCCCCCNC(=O)N(CCNC(=O)N)CCNC(=O)N
inchi:
InChI=1S/C25H52N6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(34)31(21-19-28-23(26)32)22-20-29-24(27)33/h2-22H2,1H3,(H,30,34)(H3,26,28,32)(H3,27,29,33)


name: 11-Methyldodecyl laurate
cas: 94134-83-5
chemspiderid: 2289808
dtxsid: DTXSID90240731
formula: C25H50O2
inchikey: YTPNTTUPPCGZPJ-UHFFFAOYSA-N
norman_susdat_id: NS00040129
pubchem_cid: 3023695
smiles: CCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C25H50O2/c1-4-5-6-7-8-9-13-16-19-22-25(26)27-23-20-17-14-11-10-12-15-18-21-24(2)3/h24H,4-23H2,1-3H3


name: Disodium 4-(11-methyldodecyl) 2-sulphonatosuccinate
cas: 94134-84-6
dtxsid: DTXSID20916351
formula: C17H32O7S
inchikey: OIWWNPOXOOCGNM-UHFFFAOYSA-L
norman_susdat_id: NS00064101
pubchem_cid: 11971285
smiles: [Na+].[Na+].O=C(OCCCCCCCCCCC(C)C)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H32O7S.2Na/c1-14(2)11-9-7-5-3-4-6-8-10-12-24-16(18)13-15(17(19)20)25(21,22)23;;/h14-15H,3-13H2,1-2H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: (Z)-N,N-dioctadecyl-9-octadecenamide
cas: 94134-89-1
formula: C54H107NO
inchikey: IOUJMGBGFAJHAE-IKPAITLHSA-N
norman_susdat_id: NS00065297
pubchem_cid: 20836327
smiles: O=C(N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C54H107NO/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(56)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h27,30H,4-26,28-29,31-53H2,1-3H3


name: N-(2,5-dichloropentyl)-3,4-dihydro-8-(N-methylsulphamoyl)-2H-1,5-benzodioxepin-6-carboxamide
cas: 94134-90-4
dtxsid: DTXSID50916349
formula: C16H22Cl2N2O5S
inchikey: WJPVGGFEQFHIDH-UHFFFAOYSA-N
norman_susdat_id: NS00063969
pubchem_cid: 16206002
smiles: O=C(NCC(Cl)CCCCl)C1=CC(=CC=2OCCCOC21)S(=O)(=O)NC
inchi:
InChI=1/C16H22Cl2N2O5S/c1-19-26(22,23)12-8-13(15-14(9-12)24-6-3-7-25-15)16(21)20-10-11(18)4-2-5-17/h8-9,11,19H,2-7,10H2,1H3,(H,20,21)


name: N-(2,5-dichloropentyl)-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide
cas: 94134-91-5
dtxsid: DTXSID90916348
formula: C15H20Cl2N2O5S
inchikey: BBCZXKQLUMQEFC-UHFFFAOYSA-N
norman_susdat_id: NS00064479
pubchem_cid: 16206003
smiles: O=C(NCC(Cl)CCCCl)C1=CC(=CC=2OCCOC21)S(=O)(=O)NC
inchi:
InChI=1/C15H20Cl2N2O5S/c1-18-25(21,22)11-7-12(14-13(8-11)23-5-6-24-14)15(20)19-9-10(17)3-2-4-16/h7-8,10,18H,2-6,9H2,1H3,(H,19,20)


cas: 94134-92-6
dtxsid: DTXSID30916347
formula: C22H31N3O5S
inchikey: ZXLRNUMFQGIXKA-UHFFFAOYSA-N
norman_susdat_id: NS00064102
pubchem_cid: 16206004
smiles: O=C(NCC1N(CC2=CCCCC2)CCC1)C3=CC(=CC=4OCCOC43)S(=O)(=O)NC
name:
N-[[1-(cyclohex-1-en-1-ylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-7-(N-methylsulphamoyl)-1,4-benzodioxin-5-carboxamide

inchi:
InChI=1/C22H31N3O5S/c1-23-31(27,28)18-12-19(21-20(13-18)29-10-11-30-21)22(26)24-14-17-8-5-9-25(17)15-16-6-3-2-4-7-16/h6,12-13,17,23H,2-5,7-11,14-15H2,1H3,(H,24,26)


name: (17beta)-17-(((4-(Butoxycarbonyl)cyclohexyl)carbonyl)oxy)androst-4-en-3-one
cas: 94134-95-9
chemspiderid: 21166877
dtxsid: DTXSID90240736
formula: C31H46O5
inchikey: GNQXIHJIIJLHQI-YYAIDKQPSA-N
norman_susdat_id: NS00040132
pubchem_cid: 44152179
smiles: CCCCOC(=O)C1CCC(CC1)C(=O)OC1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
inchi:
InChI=1S/C31H46O5/c1-4-5-18-35-28(33)20-6-8-21(9-7-20)29(34)36-27-13-12-25-24-11-10-22-19-23(32)14-16-30(22,2)26(24)15-17-31(25,27)3/h19-21,24-27H,4-18H2,1-3H3/t20-,21+,24-,25-,26+,27-,30-,31-/m0/s1


name: 11beta,17-Dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione
cas: 94134-96-0
chemspiderid: 8297185
dtxsid: DTXSID50240737
formula: C22H28I2O4
inchikey: HXECQENBKBNQCQ-XLECKLAMSA-N
norman_susdat_id: NS00040133
pubchem_cid: 10121665
smiles: CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C(I)I)[C@@]3(C)CC(O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
inchi:
InChI=1S/C22H28I2O4/c1-11-8-13-14-5-7-22(28,18(27)19(23)24)21(14,3)10-16(26)17(13)20(2)6-4-12(25)9-15(11)20/h4,6,9,11,13-14,16-17,19,26,28H,5,7-8,10H2,1-3H3/t11-,13-,14-,16+,17+,20-,21-,22-/m0/s1


name: Sodium 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]butyrate
cas: 94135-04-3
dtxsid: DTXSID50916344
formula: C18H17NO3S
inchikey: BRYZHEJHXSOPQF-UHFFFAOYSA-M
norman_susdat_id: NS00064480
pubchem_cid: 3023701
smiles: [Na+].O=C([O-])C(C1=CC=C(SN2C(=O)C=3C=CC=CC3C2)C=C1)CC
inchi:
InChI=1/C18H17NO3S.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)23-19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);/q;+1/p-1


name: 4,17-Dihydroxypregn-4-ene-3,20-dione 4-acetate 17-hexanoate
cas: 94135-06-5
chemspiderid: 21166878
dtxsid: DTXSID40240741
formula: C29H42O6
inchikey: WRZVFSQVZDEDIK-NTLFILIOSA-N
norman_susdat_id: NS00040134
pubchem_cid: 44146576
smiles: CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=C(OC(=O)C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
inchi:
InChI=1S/C29H42O6/c1-6-7-8-9-25(33)35-29(18(2)30)17-13-22-20-10-11-23-26(34-19(3)31)24(32)14-15-27(23,4)21(20)12-16-28(22,29)5/h20-22H,6-17H2,1-5H3/t20-,21+,22+,27-,28+,29+/m1/s1


name: 3,3'-(3,7-dimethylocta-2,6-dienylidene)bis(1H-indole)
cas: 94135-09-8
formula: C26H28N2
inchikey: PDIXICHEAZLDNO-CYVLTUHYSA-N
norman_susdat_id: NS00064482
pubchem_cid: 57356565
smiles: [H]C(C=C(C)CCC=C(C)C)(C1=CNC=2C=CC=CC21)C3=CNC=4C=CC=CC43
inchi:
InChI=1/C26H28N2/c1-18(2)9-8-10-19(3)15-22(23-16-27-25-13-6-4-11-20(23)25)24-17-28-26-14-7-5-12-21(24)26/h4-7,9,11-17,22,27-28H,8,10H2,1-3H3


name: Disodium 2,2'-[1,2-ethanediylbis(iminocarbonyl)]bisbenzoate
cas: 94135-12-3
formula: C18H16N2O6.2Na
inchikey: LMOODUDFLCSHDB-UHFFFAOYSA-L
norman_susdat_id: NS00092181
smiles: [Na+].[Na+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-]
inchi:
InChI=1/C18H16N2O6.2Na/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);;/q;2*+1/p-2


name: Tris(m-hydroxyphenyl) phosphate
cas: 94135-13-4
dtxsid: DTXSID80240745
formula: C18H15O7P
inchikey: GGYSSENSJNGXLU-UHFFFAOYSA-N
norman_susdat_id: NS00064142
pubchem_cid: 3023706
smiles: O=P(OC=1C=CC=C(O)C1)(OC=2C=CC=C(O)C2)OC=3C=CC=C(O)C3
inchi:
InChI=1/C18H15O7P/c19-13-4-1-7-16(10-13)23-26(22,24-17-8-2-5-14(20)11-17)25-18-9-3-6-15(21)12-18/h1-12,19-21H


name: 6-(Dioctadecylamino)-6-oxohexanoic acid
cas: 94135-17-8
chemspiderid: 2289819
dtxsid: DTXSID40240746
formula: C42H83N1O3
inchikey: CCURTKJJWYUDJV-UHFFFAOYSA-N
norman_susdat_id: NS00040137
pubchem_cid: 3023708
smiles: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCCCC(=O)O
inchi:
InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(41(44)37-33-34-38-42(45)46)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,45,46)


name: L-aspartic acid, compound with (17R,21a)-ajmalan-17,21-diol (1:1)
cas: 94135-18-9
formula: C20H26N2O2.C4H7NO4
inchikey: VCWIFMKCDNQZDM-CYTFFRMQSA-N
norman_susdat_id: NS00092183
smiles: CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](O)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56.N[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C20H26N2O2.C4H7NO4/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;5-2(4(8)9)1-3(6)7/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;2H,1,5H2,(H,6,7)(H,8,9)


name: 4-(Acetylamino)-5-bromo-N-(2-(diethylamino)ethyl)-2-methoxybenzamide
cas: 94135-22-5
chemspiderid: 2289821
dtxsid: DTXSID20240749
formula: C16H24Br1N3O3
inchikey: UOWCNHGEKKEIDG-UHFFFAOYSA-N
norman_susdat_id: NS00040138
pubchem_cid: 3023712
smiles: CCN(CC)CCNC(=O)c1c(OC)cc(NC(=O)C)c(Br)c1
inchi:
InChI=1S/C16H24BrN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)


name: Malic acid, compound with (E)-3-[2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl]phenol (1:1)
cas: 94135-23-6
formula: C13H16N2O
inchikey: STWDAACNOHENPP-UHDJGPCESA-N
norman_susdat_id: NS00064509
pubchem_cid: 44148045
smiles: O=C(O)CC(O)C(=O)O.OC1=CC=CC(C=CC2=NCCCN2C)=C1
inchi:
InChI=1/C13H16N2O.C4H6O5/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;5-2(4(8)9)1-3(6)7/h2,4-7,10,16H,3,8-9H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)


name: 3-[2-[2-(p-chlorophenoxy)-2-methylpropionyloxy]ethoxycarbonyl]pyridinium hydrogen sulphate
cas: 94135-26-9
formula: C18H18ClNO5.H2O4S
inchikey: IOOLKHGOVZRWRU-UHFFFAOYSA-M
norman_susdat_id: NS00092197
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2ccc[nH+]c2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C18H18ClNO5.H2O4S/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;1-5(2,3)4/h3-9,12H,10-11H2,1-2H3;(H2,1,2,3,4)/p-1


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
cas: 94135-31-6
formula: C28H32FNO6
inchikey: BQTXJHAJMDGOFI-QEVRMTOFSA-N
norman_susdat_id: NS00093408
smiles: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c5ccncc5
inchi:
InChI=1/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3


name: 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
cas: 94135-36-1
chemspiderid: 34997521
dtxsid: DTXSID50240752
formula: C31H36O8
inchikey: YOFQBOKKLYIOGE-NOQXCBQUSA-N
norman_susdat_id: NS00040139
pubchem_cid: 44152823
inchi:
InChI=1S/C31H36O8/c1-17-13-21-22-10-12-31(37,26(35)16-38-28(36)20-7-5-6-8-25(20)39-18(2)32)30(22,4)15-24(34)27(21)29(3)11-9-19(33)14-23(17)29/h5-9,11,14,17,21-22,24,27,34,37H,10,12-13,15-16H2,1-4H3/t17?,21-,22-,24-,27+,29-,30-,31-/m0/s1

smiles:
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C4=CC=CC=C4OC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12


cas: 94135-37-2
chemspiderid: 21166885
dtxsid: DTXSID10240753
formula: C25H31F1O9
inchikey: DZWFFZQAQHUHBB-GTPWTDTCSA-M
norman_susdat_id: NS00040140
pubchem_cid: 44152328
smiles: [Na+].C[C@]12CC(O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(O)[C@]2(O)C(=O)COC(=O)CCC(=O)O
name:
Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, monosodium salt, (11beta,16alpha)-

inchi:
InChI=1S/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)/t15-,16+,17+,18-,22-,23-,24+,25-/m1/s1


cas: 94135-39-4
dtxsid: DTXSID30240755
formula: C22H30ClO8P
inchikey: SIKHUOWRLRCONQ-LWCNAHDDSA-N
norman_susdat_id: NS00066703
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C32Cl)C
name:
Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11ß,16ß)-

inchi:
InChI=1/C22H30ClO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1


cas: 94135-40-7
formula: C29H33FO9S.Na
inchikey: RPBJOYICBFNIMN-ISTQVZLFSA-M
norman_susdat_id: NS00093127
name:
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11ß,16ß)-

inchi:
InChI=1/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1

smiles:
[Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@@H](C)C[C@@H]2[C@]5(C)C[C@H](O)[C@]3(F)[C@@]4(C)/C=C\C(=O)/C=C4/CC[C@@H]23


name: p-(Octadecyl)toluene
cas: 94135-41-8
chemspiderid: 2289822
dtxsid: DTXSID90240756
formula: C25H44
inchikey: GZOSYOSHWZZRQK-UHFFFAOYSA-N
norman_susdat_id: NS00040141
pubchem_cid: 3023714
smiles: CCCCCCCCCCCCCCCCCCc1ccc(C)cc1
inchi:
InChI=1S/C25H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22-20-24(2)21-23-25/h20-23H,3-19H2,1-2H3


name: o-(Octadecyl)toluene
cas: 94135-42-9
chemspiderid: 2289823
dtxsid: DTXSID50240757
formula: C25H44
inchikey: JJSNBRUUOSMXBN-UHFFFAOYSA-N
norman_susdat_id: NS00040142
pubchem_cid: 3023715
smiles: CCCCCCCCCCCCCCCCCCc1c(C)cccc1
inchi:
InChI=1S/C25H44/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-23-20-19-21-24(25)2/h19-21,23H,3-18,22H2,1-2H3


name: Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate
cas: 94135-46-3
formula: C20H34O3
inchikey: ICPXGSJJLTZHKN-UHFFFAOYSA-N
norman_susdat_id: NS00066464
pubchem_cid: 3023716
smiles: O=C(OCCCC)CC(O)(C(=CC1C(=CCCC1(C)C)C)C)C
inchi:
InChI=1/C20H34O3/c1-7-8-12-23-18(21)14-20(6,22)16(3)13-17-15(2)10-9-11-19(17,4)5/h10,13,17,22H,7-9,11-12,14H2,1-6H3


name: Ethyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate
cas: 94135-47-4
dtxsid: DTXSID90916328
formula: C15H18N2O2
inchikey: YXFXKGBICGUOJR-UHFFFAOYSA-N
norman_susdat_id: NS00066465
pubchem_cid: 423097
smiles: O=C(OCC)CC1NCCC=2C=3C=CC=CC3NC21
inchi:
InChI=1/C15H18N2O2/c1-2-19-14(18)9-13-15-11(7-8-16-13)10-5-3-4-6-12(10)17-15/h3-6,13,16-17H,2,7-9H2,1H3


cas: 94135-49-6
chemspiderid: 57523596
dtxsid: DTXSID10240758
formula: C17H26O1
inchikey: PXXHMYGUMPKTPF-LDXOSZSPSA-N
norman_susdat_id: NS00040143
pubchem_cid: 44145692
smiles: C[C@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC=C3CC(C)=O
name:
(3R-(3alpha,3abeta,7beta,8aalpha))-1-(2,3,4,7,8,8a-Hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulen-6-yl)acetone

inchi:
InChI=1S/C17H26O/c1-11-5-6-15-16(3,4)14-10-17(11,15)8-7-13(14)9-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3/t11-,14+,15+,17+/m0/s1


name: Calcium salicylate, compound with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
cas: 94135-53-2
formula: C7H8N4O2.C7H6O3.Ca
inchikey: GDDSFMMICZTVCA-UHFFFAOYSA-L
norman_susdat_id: NS00093409
smiles: [Ca+2].CN1C(=O)NC(=O)c2c1ncn2C.Oc3ccccc3C(=O)[O-].Oc4ccccc4C(=O)[O-]
inchi:
InChI=1/C7H8N4O2.2C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);2*1-4,8H,(H,9,10);/q;;;+2/p-2


name: Oxiranylmethyl octadecylcarbamate
cas: 94135-55-4
dtxsid: DTXSID10916325
formula: C22H43NO3
inchikey: INEYIRFSQAWYPP-UHFFFAOYSA-N
norman_susdat_id: NS00066100
pubchem_cid: 11971287
smiles: O=C(OCC1OC1)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(24)26-20-21-19-25-21/h21H,2-20H2,1H3,(H,23,24)


cas: 94135-56-5
chemspiderid: 57495587
dtxsid: DTXSID40240761
formula: C10H28N2O16P4
inchikey: SVYZTVPDQRPZNI-UHFFFAOYSA-H
norman_susdat_id: NS00040144
pubchem_cid: 44147709
name:
10,10-Dihydroxy-3,6-bis(2-(phosphonooxy)ethyl)-9-oxa-3,6-diaza-10-phosphadecyl dihydrogen phosphate 10-oxide, sodium salt

inchi:
InChI=1S/C10H28N2O16P4/c13-29(14,15)25-7-3-11(4-8-26-30(16,17)18)1-2-12(5-9-27-31(19,20)21)6-10-28-32(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP(O)(=O)OCCN(CCOP([O-])([O-])=O)CCN(CCOP([O-])([O-])=O)CCOP([O-])([O-])=O


name: 3-(p-cumenyl)-2-octylpropionaldehyde
cas: 94135-57-6
dtxsid: DTXSID50916324
formula: C20H32O
inchikey: OITFAOHCTDPSPO-UHFFFAOYSA-N
norman_susdat_id: NS00066705
pubchem_cid: 6366460
smiles: O=CC(CC1=CC=C(C=C1)C(C)C)CCCCCCCC
inchi:
InChI=1/C20H32O/c1-4-5-6-7-8-9-10-19(16-21)15-18-11-13-20(14-12-18)17(2)3/h11-14,16-17,19H,4-10,15H2,1-3H3


name: Sodium icos-9-enoate
cas: 94135-60-1
formula: C20H38O2.Na
inchikey: SCEFIDHNJSJIHH-UHFFFAOYSA-M
norman_susdat_id: NS00093410
smiles: [Na+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC
inchi:
InChI=1/C20H38O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h11-12H,2-10,13-19H2,1H3,(H,21,22);/q;+1/p-1


name: Potassium icos-9-enoate
cas: 94135-61-2
formula: C20H38O2.K
inchikey: JZEGYCHASAJOIP-UHFFFAOYSA-M
norman_susdat_id: NS00093074
smiles: [K+].[O-]C(=O)CCCCCCCC=CCCCCCCCCCC
inchi:
InChI=1/C20H38O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h11-12H,2-10,13-19H2,1H3,(H,21,22);/q;+1/p-1


name: Adipic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
cas: 94135-63-4
formula: C8H23N5.xC6H10O4
inchikey: ADLPVBCBMDDLJK-UHFFFAOYSA-N
norman_susdat_id: NS00093075
smiles: NCCNCCNCCNCCN.OC(=O)CCCCC(=O)O
inchi:
InChI=1/C8H23N5.C6H10O4/c9-1-3-11-5-7-13-8-6-12-4-2-10;7-5(8)3-1-2-4-6(9)10/h11-13H,1-10H2;1-4H2,(H,7,8)(H,9,10)


cas: 94135-66-7
formula: C12H22O4.xC8H23N5.xNa
inchikey: XNUXQQZRCWWKSU-UHFFFAOYSA-M
norman_susdat_id: NS00093128
smiles: [Na+].NCCNCCNCCNCCN.OC(=O)CCCCCCCCCCC(=O)[O-]
name:
Dodecanedioic acid, sodium salt, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine

inchi:
InChI=1/C12H22O4.C8H23N5.Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;9-1-3-11-5-7-13-8-6-12-4-2-10;/h1-10H2,(H,13,14)(H,15,16);11-13H,1-10H2;/q;;+1/p-1


name: 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)allyl]piperazinium chloride
cas: 94135-67-8
formula: C22H31N3O5.ClH
inchikey: SLJMOUWEGNGDIL-UHDJGPCESA-N
norman_susdat_id: NS00093076
smiles: [Cl-].COc1cc(\C=C\C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc(OC)c1OC
inchi:
InChI=1/C22H31N3O5.ClH/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1H


name: 1-[[(5-nitro-2-furyl)methylene]amino]imidazolidine-2,4-dione, compound with morpholine (1:1)
cas: 94135-68-9
formula: C8H6N4O5.C4H9NO
inchikey: SASQWGSOPMXZAD-UHFFFAOYSA-N
norman_susdat_id: NS00093412
smiles: O=C2CN(N=Cc1oc(cc1)[N+]([O-])=O)C(=O)N2.C1CNCCO1
inchi:
InChI=1/C8H6N4O5.C4H9NO/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;1-3-6-4-2-5-1/h1-3H,4H2,(H,10,13,14);5H,1-4H2


name: 6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium lactate
cas: 94135-70-3
formula: C22H22BrN2O.C3H5O3
inchikey: LRETUHAXTFGNSV-UHFFFAOYSA-M
norman_susdat_id: NS00093129
smiles: CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(O)C(=O)[O-]
inchi:
InChI=1/C22H22BrN2O.C3H6O3/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(4)3(5)6/h4-12,26H,3,13-14H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1


name: Ethyl N-(N-formyl-3-phenyl-L-alanyl)-3-phenyl-L-alaninate
cas: 94135-71-4
chemspiderid: 21166896
dtxsid: DTXSID60240768
formula: C21H24N2O4
inchikey: WMNMKMOXKDFVCM-OALUTQOASA-N
norman_susdat_id: NS00040146
pubchem_cid: 44146354
smiles: CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC=O
inchi:
InChI=1S/C21H24N2O4/c1-2-27-21(26)19(14-17-11-7-4-8-12-17)23-20(25)18(22-15-24)13-16-9-5-3-6-10-16/h3-12,15,18-19H,2,13-14H2,1H3,(H,22,24)(H,23,25)/t18-,19-/m0/s1


name: N-(2-aminoethyl)octadec-9-enamide monoacetate
cas: 94135-80-5
formula: C20H40N2O.C2H4O2
inchikey: FXPKGZFJOFHPDA-UHFFFAOYSA-N
norman_susdat_id: NS00093077
smiles: O=C(NCCN)CCCCCCCC=CCCCCCCCC.CC(O)=O
inchi:
InChI=1/C20H40N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-2(3)4/h9-10H,2-8,11-19,21H2,1H3,(H,22,23);1H3,(H,3,4)


name: N-(2-aminoethyl)stearamide monoacetate
cas: 94135-81-6
formula: C20H42N2O.C2H4O2
inchikey: DBSYYYKYEZAVQU-UHFFFAOYSA-N
norman_susdat_id: NS00093414
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN.CC(=O)O
inchi:
InChI=1/C20H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21;1-2(3)4/h2-19,21H2,1H3,(H,22,23);1H3,(H,3,4)


name: DL-serine dihydrogen phosphate, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)
cas: 94135-82-7
formula: C8H11NO3.C3H8NO6P
inchikey: UNQGQQNEGRPVEN-UHFFFAOYSA-N
norman_susdat_id: NS00093078
smiles: Oc1c(CO)c(cnc1C)CO.OC(=O)C(N)CO.OP(O)(=O)O
inchi:
InChI=1/C8H11NO3.C3H7NO3.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;4-2(1-5)3(6)7;1-5(2,3)4/h2,10-12H,3-4H2,1H3;2,5H,1,4H2,(H,6,7);(H3,1,2,3,4)


name: 1-decyl 2-[[1-(2-chloro-5-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate
cas: 94135-83-8
formula: C27H33ClN4O6S
inchikey: UWDKFYCYPLPWCD-UHFFFAOYSA-N
norman_susdat_id: NS00093095
smiles: CCCCCCCCCCOC(=O)c3ccccc3N=NC2C(\C)=N/N(c1cc(ccc1Cl)S(O)(=O)=O)C2=O
inchi:
InChI=1/C27H33ClN4O6S/c1-3-4-5-6-7-8-9-12-17-38-27(34)21-13-10-11-14-23(21)29-30-25-19(2)31-32(26(25)33)24-18-20(39(35,36)37)15-16-22(24)28/h10-11,13-16,18,25H,3-9,12,17H2,1-2H3,(H,35,36,37)


cas: 94135-84-9
dtxsid: DTXSID90240771
formula: C31H22Cl2N8O12S4
inchikey: FAQHCOJNDSWFJR-UHFFFAOYSA-J
norman_susdat_id: NS00066466
pubchem_cid: 11971289
name:
Tetrasodium 4-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2,5-dimethylphenyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C31H22Cl2N8O12S4.4Na/c1-14-10-25(15(2)9-24(14)34-31-36-29(32)35-30(33)37-31)40-38-23-8-7-22(18-5-3-16(11-20(18)23)54(42,43)44)39-41-28-21-12-17(55(45,46)47)4-6-19(21)26(56(48,49)50)13-27(28)57(51,52)53;;;;/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,34,35,36,37);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C4=CC(=CC=C4C(=CC3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])=CC=C(N=NC=5C=C(C(=CC5C)NC=6N=C(Cl)N=C(Cl)N6)C)C2C1


cas: 94135-85-0
formula: C36H30N6O17S4
inchikey: AKXPFNSOBXKUND-UHFFFAOYSA-J
norman_susdat_id: NS00066117
pubchem_cid: NA
name:
Tetrasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-6-[(2-methoxy-5-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H30N6O17S4.4Na/c1-17-8-26(31(59-3)16-25(17)39-41-28-14-22(61(49,50)51)10-19-11-23(62(52,53)54)15-29(43)33(19)28)38-36(45)37-20-4-6-24-18(9-20)12-32(63(55,56)57)34(35(24)44)42-40-27-13-21(60(46,47)48)5-7-30(27)58-2;;;;/h4-16,43-44H,1-3H3,(H2,37,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC(=CC=C3OC)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC4=CC(=C(N=NC=5C=C(C=C6C=C(C=C(O)C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4OC)C


cas: 94135-86-1
formula: C35H27N8O15S3
inchikey: WDSBRGYEJSCXJS-UHFFFAOYSA-K
norman_susdat_id: NS00066707
pubchem_cid: 135854087
name:
Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-34-32(61(55,56)57)13-18-12-24(59(49,50)51)15-28(33(18)35(34)46)41-40-27-16-26(29(44)17-30(27)45)39-37-20-4-2-19(3-5-20)36-25-11-8-22(43(47)48)14-31(25)60(52,53)54;;;/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=C(N=NC4=CC(=CC5=CC(=C(N=NC6=CC=C(OC)C=C6)C(O)=C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC3O)C=C2)C(=C1)S(=O)(=O)[O-]


name: Disodium [[[4-[(sulphonatomethyl)amino]phenyl]sulphonyl]amino]methanesulphonate
cas: 94135-88-3
dtxsid: DTXSID50240772
formula: C8H12N2O8S3
inchikey: OTGATJDRBGEMQH-UHFFFAOYSA-L
norman_susdat_id: NS00066218
pubchem_cid: 11971293
smiles: [Na+].[Na+].O=S(=O)([O-])CNC1=CC=C(C=C1)S(=O)(=O)NCS(=O)(=O)[O-]
inchi:
InChI=1/C8H12N2O8S3.2Na/c11-19(12,13)5-9-7-1-3-8(4-2-7)21(17,18)10-6-20(14,15)16;;/h1-4,9-10H,5-6H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2


cas: 94135-89-4
formula: C19H16O4.C6H15NO
inchikey: HTEAUBWQNCREDM-UHFFFAOYSA-N
norman_susdat_id: NS00093130
smiles: CCN(CC)CCO.CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3
name:
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, compound with 2-(diethylamino)ethanol (1:1)

inchi:
InChI=1/C19H16O4.C6H15NO/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3-7(4-2)5-6-8/h2-10,15,21H,11H2,1H3;8H,3-6H2,1-2H3


name: 3-(p-(Hexyloxy)phenyl)propionic anhydride
cas: 94135-92-9
chemspiderid: 2289830
dtxsid: DTXSID10240773
formula: C30H42O5
inchikey: KTQVDAHKSPSSLP-UHFFFAOYSA-N
norman_susdat_id: NS00040147
pubchem_cid: 21149788
smiles: CCCCCCOc1ccc(CCC(=O)OC(=O)CCc2ccc(OCCCCCC)cc2)cc1
inchi:
InChI=1S/C30H42O5/c1-3-5-7-9-23-33-27-17-11-25(12-18-27)15-21-29(31)35-30(32)22-16-26-13-19-28(20-14-26)34-24-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3


name: 4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N-phenylbenzenesulphonamide
cas: 94136-00-2
dtxsid: DTXSID60916310
formula: C21H16N2O4S
inchikey: SMUPUARPBURVSD-UHFFFAOYSA-N
norman_susdat_id: NS00066469
pubchem_cid: 3023741
smiles: O=C1C=2C=CC=CC2C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)NC=4C=CC=CC4
inchi:
InChI=1/C21H16N2O4S/c24-20-18-8-4-5-9-19(18)21(25)23(20)14-15-10-12-17(13-11-15)28(26,27)22-16-6-2-1-3-7-16/h1-13,22H,14H2


name: 4-[2-[4-(diethylamino)phenyl]vinyl]benzaldehyde 1-naphthylphenylhydrazone
cas: 94136-03-5
formula: C35H33N3
inchikey: UMPZCRNJRNCORF-LHYPWAEKSA-N
norman_susdat_id: NS00066243
pubchem_cid: 57356575
smiles: N(=CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(CC)CC)N(C=3C=CC=CC3)C4=CC=CC=5C=CC=CC54
inchi:
InChI=1/C35H33N3/c1-3-37(4-2)32-25-23-29(24-26-32)18-17-28-19-21-30(22-20-28)27-36-38(33-13-6-5-7-14-33)35-16-10-12-31-11-8-9-15-34(31)35/h5-27H,3-4H2,1-2H3


name: 2,5-dibutoxy-4'-methoxy[1,1'-biphenyl]-4-diazonium chloride
cas: 94136-05-7
dtxsid: DTXSID70240779
formula: C21H27N2O3
inchikey: YNTXJPZSNIBITC-UHFFFAOYSA-M
norman_susdat_id: NS00066708
pubchem_cid: 44144712
smiles: [Cl-].N#[N+]C=1C=C(OCCCC)C(=CC1OCCCC)C=2C=CC(OC)=CC2
inchi:
InChI=1/C21H27N2O3.ClH/c1-4-6-12-25-20-15-19(23-22)21(26-13-7-5-2)14-18(20)16-8-10-17(24-3)11-9-16;/h8-11,14-15H,4-7,12-13H2,1-3H3;1H/q+1;/p-1


name: 1,1'-(Iminodiethane-2,1-diyl)bisimidazolidine-2,4-dione
cas: 94136-06-8
chemspiderid: 21166915
dtxsid: DTXSID80240780
formula: C10H15N5O4
inchikey: UIGBTEFXCZEEJA-UHFFFAOYSA-N
norman_susdat_id: NS00040151
pubchem_cid: 44149190
smiles: O=C1CN(CCNCCN2CC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C10H15N5O4/c16-7-5-14(9(18)12-7)3-1-11-2-4-15-6-8(17)13-10(15)19/h11H,1-6H2,(H,12,16,18)(H,13,17,19)


name: [3-[(2-hydroxynaphthyl)azo]phenyl]dimethylammonium methyl sulphate
cas: 94136-08-0
formula: C18H17N3O
inchikey: XXSYFVOEXNKQDD-UHFFFAOYSA-N
norman_susdat_id: NS00066470
pubchem_cid: 135570932
smiles: O=S(=O)([O-])OC.OC=1C=CC=2C=CC=CC2C1N=NC3=CC=CC(=C3)[NH+](C)C
inchi:
InChI=1/C18H17N3O.CH4O4S/c1-21(2)15-8-5-7-14(12-15)19-20-18-16-9-4-3-6-13(16)10-11-17(18)22;1-5-6(2,3)4/h3-12,22H,1-2H3;1H3,(H,2,3,4)


cas: 94138-67-7
dtxsid: DTXSID00240782
formula: C28H59N3O2
inchikey: IZCFSOPHHFFNHW-JTLHQAAZSA-M
norman_susdat_id: NS00066709
pubchem_cid: 56841255
smiles: [Cl-].[Cl-].O=C(NCC[N+](C)(C)CCC[N+](C)(C)C)CCCCCCCC=CCC(O)CCCCCC
name:
(R)-N-[2-[(12-hydroxyelaidoyl)amino]ethyl]-N,N,N',N',N'-pentamethyl-N,N'-propane-1,3-diyldiammonium dichloride

inchi:
InChI=1/C28H58N3O2.2ClH/c1-7-8-9-16-20-27(32)21-17-14-12-10-11-13-15-18-22-28(33)29-23-26-31(5,6)25-19-24-30(2,3)4;;/h14,17,27,32H,7-13,15-16,18-26H2,1-6H3;2*1H/q+1;;/p-1


name: 2-(4-(3-Benzofuryl)phenyl)-5-naphtho(2,1-b)furan-2-yl-1,3,4-oxadiazole
cas: 94138-68-8
chemspiderid: 57523601
dtxsid: DTXSID60240783
formula: C28H16N2O3
inchikey: CENJXGJLHINQJG-UHFFFAOYSA-N
norman_susdat_id: NS00040152
pubchem_cid: 44144652
smiles: o1cc(c2ccccc12)c1ccc(cc1)c1nnc(o1)c1cc2c(o1)ccc1ccccc21
inchi:
InChI=1S/C28H16N2O3/c1-2-6-20-17(5-1)13-14-25-22(20)15-26(32-25)28-30-29-27(33-28)19-11-9-18(10-12-19)23-16-31-24-8-4-3-7-21(23)24/h1-16H


name: 2-(4-(2-Benzofuryl)phenyl)-5-naphtho(2,3-b)furan-2-yl-1,3,4-oxadiazole
cas: 94138-69-9
chemspiderid: 57463074
dtxsid: DTXSID20240784
formula: C28H16N2O3
inchikey: JHGWRYNCGDMRHX-UHFFFAOYSA-N
norman_susdat_id: NS00040153
pubchem_cid: 44152609
smiles: o1cc2ccccc2c1c1ccc(cc1)c1nnc(o1)c1cc2cc3ccccc3cc2o1
inchi:
InChI=1S/C28H16N2O3/c1-2-6-20-14-24-22(13-19(20)5-1)15-25(32-24)28-30-29-27(33-28)18-11-9-17(10-12-18)26-23-8-4-3-7-21(23)16-31-26/h1-16H


name: Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate
cas: 94138-71-3
chemspiderid: 2289836
dtxsid: DTXSID40240786
formula: C17H17Cl1N2O6S2
inchikey: SCHJOQNFJJUICL-UHFFFAOYSA-M
norman_susdat_id: NS00040155
pubchem_cid: 23662622
smiles: [Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C17H17ClN2O6S2/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)27(21,22)12-11-26-28(23,24)25/h1-8H,9-12H2,(H,23,24,25)


cas: 94138-72-4
chemspiderid: 2289838
dtxsid: DTXSID00240787
formula: C18H18Cl2N2O6S2
inchikey: FPGVRZFXCXXFJB-UHFFFAOYSA-M
norman_susdat_id: NS00040156
pubchem_cid: 23662623
smiles: [Na+].Cc1c(cc(Cl)c(Cl)c1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-]
name:
Sodium 2-((4-(3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate

inchi:
InChI=1S/C18H18Cl2N2O6S2/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)29(23,24)9-8-28-30(25,26)27/h2-5,10-11H,6-9H2,1H3,(H,25,26,27)


name: Undecanoic acid, compound with 2-aminobutan-1-ol (1:1)
cas: 94138-73-5
formula: C11H22O2.C4H11NO
inchikey: ZXKUMTYQPZLFAC-UHFFFAOYSA-N
norman_susdat_id: NS00093253
smiles: CCCCCCCCCCC(=O)O.CCC(N)CO
inchi:
InChI=1/C11H22O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-4(5)3-6/h2-10H2,1H3,(H,12,13);4,6H,2-3,5H2,1H3


name: 2-hydroxy-3-(lactoyloxy)propyl myristate
cas: 94138-79-1
dtxsid: DTXSID70916306
formula: C20H38O6
inchikey: PXPMJHWVJIPKEP-UHFFFAOYSA-N
norman_susdat_id: NS00066244
pubchem_cid: 16206012
smiles: O=C(OCC(O)COC(=O)C(O)C)CCCCCCCCCCCCC
inchi:
InChI=1/C20H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23)25-15-18(22)16-26-20(24)17(2)21/h17-18,21-22H,3-16H2,1-2H3


name: Hexacosyl acrylate
cas: 94138-80-4
chemspiderid: 2289841
dtxsid: DTXSID60240788
formula: C29H56O2
inchikey: GMMVDHHXYPDRJR-UHFFFAOYSA-N
norman_susdat_id: NS00040157
pubchem_cid: 3023748
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C29H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29(30)4-2/h4H,2-3,5-28H2,1H3


name: Octacosyl acrylate
cas: 94138-81-5
chemspiderid: 2289842
dtxsid: DTXSID20240789
formula: C31H60O2
inchikey: HJZOFAWRMPYCHL-UHFFFAOYSA-N
norman_susdat_id: NS00040158
pubchem_cid: 3023749
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C31H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-31(32)4-2/h4H,2-3,5-30H2,1H3


name: Triacontyl acrylate
cas: 94138-82-6
chemspiderid: 2289843
dtxsid: DTXSID30240790
formula: C33H64O2
inchikey: JVYCFGPPVMLAAL-UHFFFAOYSA-N
norman_susdat_id: NS00040159
pubchem_cid: 3023750
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C33H64O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-33(34)4-2/h4H,2-3,5-32H2,1H3


name: Hentriacontyl acrylate
cas: 94138-83-7
chemspiderid: 2289844
dtxsid: DTXSID90240791
formula: C34H66O2
inchikey: HTVKZPXLHGYWEW-UHFFFAOYSA-N
norman_susdat_id: NS00040160
pubchem_cid: 3023751
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C34H66O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34(35)4-2/h4H,2-3,5-33H2,1H3


name: Dotriacontyl acrylate
cas: 94138-84-8
chemspiderid: 2289845
dtxsid: DTXSID50240792
formula: C35H68O2
inchikey: KDGKWTUPVIYBIW-UHFFFAOYSA-N
norman_susdat_id: NS00040161
pubchem_cid: 3023752
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C35H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-35(36)4-2/h4H,2-3,5-34H2,1H3


name: Tetratriacontyl acrylate
cas: 94138-85-9
chemspiderid: 2289846
dtxsid: DTXSID10240793
formula: C37H72O2
inchikey: IHKUWVHBYSSFMD-UHFFFAOYSA-N
norman_susdat_id: NS00040162
pubchem_cid: 3023753
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C37H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-39-37(38)4-2/h4H,2-3,5-36H2,1H3


name: Hexatriacontyl acrylate
cas: 94138-86-0
chemspiderid: 2289847
dtxsid: DTXSID70240794
formula: C39H76O2
inchikey: DCRGAFCIPVMICZ-UHFFFAOYSA-N
norman_susdat_id: NS00040163
pubchem_cid: 3023754
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C39H76O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-41-39(40)4-2/h4H,2-3,5-38H2,1H3


name: 1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2,2'-iminobis[ethanol] (1:1)
cas: 94138-88-2
formula: C20H38O7S.C4H11NO2
inchikey: YEEPFWALIDZFLC-UHFFFAOYSA-N
norman_susdat_id: NS00093097
smiles: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCNCCO
inchi:
InChI=1/C20H38O7S.C4H11NO2/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;6-3-1-5-2-4-7/h16-18H,5-15H2,1-4H3,(H,23,24,25);5-7H,1-4H2


name: Lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 94138-91-7
formula: C18H30O2.Li
inchikey: DYWHQKKVLYASPF-IFNWOZJISA-M
norman_susdat_id: NS00093136
smiles: [Li+].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H30O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: Dilithium hydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 94138-94-0
formula: C6H8O7.2Li
inchikey: KPHBXCOBSIAOGG-UHFFFAOYSA-K
norman_susdat_id: NS00093415
smiles: [Li+].[Li+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.2Li/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: 1-(2-aminoethyl)-2-heptadecyl-4,5-dihydro-1-methyl-1H-imidazolium methyl sulphate
cas: 94138-96-2
formula: C23H48N3.CH3O4S
inchikey: UIVMSFKCUAGYFD-UHFFFAOYSA-M
norman_susdat_id: NS00093262
smiles: CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN.COS(=O)(=O)[O-]
inchi:
InChI=1/C23H48N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23,2)21-19-24;1-5-6(2,3)4/h3-22,24H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Bis[2-(2-hydroxyethoxy)ethyl]methyloctadecylammonium chloride
cas: 94138-97-3
dtxsid: DTXSID10916300
formula: C27H58NO4
inchikey: XNQVDZMFICXFEO-UHFFFAOYSA-M
norman_susdat_id: NS00066122
pubchem_cid: 168831
smiles: [Cl-].OCCOCC[N+](C)(CCOCCO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H58NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2,20-24-31-26-22-29)21-25-32-27-23-30;/h29-30H,3-27H2,1-2H3;1H/q+1;/p-1


name: Bis[2-(2-hydroxyethoxy)ethyl]methyl(octadecyl)ammonium methyl sulphate
cas: 94138-99-5
dtxsid: DTXSID60916299
formula: C27H57NO4
inchikey: LRQUPDLOVDEPBT-UHFFFAOYSA-N
norman_susdat_id: NS00066711
pubchem_cid: 3023764
smiles: O=S(=O)([O-])OC.OCCOCCC(CCOCCO)[NH2+]CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H57NO4.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/h27-30H,2-26H2,1H3;1H3,(H,2,3,4)


cas: 94139-05-6
dtxsid: DTXSID10240798
formula: C31H26O8
inchikey: BFAZTBZPPMMBNB-UHFFFAOYSA-N
norman_susdat_id: NS00066123
pubchem_cid: NA
smiles: O=C(OCC)C1=CC=C(C=C1)C2(OC3=CC=C(C=C3O2)C4OC=5C=C(O)C=C(O)C5CC4O)C=6C=CC=CC6
name:
Ethyl (2R-trans)-4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]benzoate

inchi:
InChI=1/C31H26O8/c1-2-36-30(35)18-8-11-21(12-9-18)31(20-6-4-3-5-7-20)38-26-13-10-19(14-28(26)39-31)29-25(34)17-23-24(33)15-22(32)16-27(23)37-29/h3-16,25,29,32-34H,2,17H2,1H3


name: N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dien-1-amide
cas: 94139-06-7
formula: C22H42N2O2
inchikey: VEIZWYNSQUGDCD-UHFFFAOYSA-N
norman_susdat_id: NS00093416
smiles: O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h6-7,9-10,23,25H,2-5,8,11-21H2,1H3,(H,24,26)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]-9,12,15-octadecatrienamide
cas: 94139-07-8
formula: C22H40N2O2
inchikey: CILZLMIUIYKBRQ-UHFFFAOYSA-N
norman_susdat_id: NS00066247
pubchem_cid: 3023772
smiles: O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C22H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h3-4,6-7,9-10,23,25H,2,5,8,11-21H2,1H3,(H,24,26)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]dodecanamide monoacetate
cas: 94139-08-9
formula: C16H34N2O2.C2H4O2
inchikey: WNSQLIIPCKPCIC-UHFFFAOYSA-N
norman_susdat_id: NS00093263
smiles: CCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O
inchi:
InChI=1/C16H34N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-12-17-14-15-19;1-2(3)4/h17,19H,2-15H2,1H3,(H,18,20);1H3,(H,3,4)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]myristamide monoacetate
cas: 94139-09-0
formula: C18H38N2O2.C2H4O2
inchikey: LFCPSSNBARPFFA-UHFFFAOYSA-N
norman_susdat_id: NS00093137
smiles: CCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O
inchi:
InChI=1/C18H38N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)20-15-14-19-16-17-21;1-2(3)4/h19,21H,2-17H2,1H3,(H,20,22);1H3,(H,3,4)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]palmitamide monoacetate
cas: 94139-10-3
formula: C20H42N2O2.C2H4O2
inchikey: DEJKSPFUPQFVQK-UHFFFAOYSA-N
norman_susdat_id: NS00093105
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O
inchi:
InChI=1/C20H42N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23;1-2(3)4/h21,23H,2-19H2,1H3,(H,22,24);1H3,(H,3,4)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12-dienamide monoacetate
cas: 94139-11-4
formula: C22H42N2O2
inchikey: WHLKVPKEURNMPT-UHFFFAOYSA-N
norman_susdat_id: NS00066150
pubchem_cid: 57356583
smiles: O=C(O)C.O=C(NCCNCCO)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C22H42N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h6-7,9-10,23,25H,2-5,8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]octadeca-9,12,15-trienamide monoacetate
cas: 94139-12-5
formula: C22H40N2O2.C2H4O2
inchikey: JTOSILIGCQKRNW-UHFFFAOYSA-N
norman_susdat_id: NS00093417
smiles: O=C(NCCNCCO)CCCCCCCC=CCC=CCC=CCC.CC(O)=O
inchi:
InChI=1/C22H40N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h3-4,6-7,9-10,23,25H,2,5,8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)


name: N,N-bis(2-hydroxyethyl)dodecanamide monoacetate
cas: 94139-13-6
formula: C16H33NO3.C2H4O2
inchikey: LAHJGVYOOBHGIX-UHFFFAOYSA-N
norman_susdat_id: NS00093264
smiles: CCCCCCCCCCCC(=O)N(CCO)CCO.CC(=O)O
inchi:
InChI=1/C16H33NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19;1-2(3)4/h18-19H,2-15H2,1H3;1H3,(H,3,4)


name: Bis(2-hydroxyethyl)tetradecylammonium acetate
cas: 94139-14-7
formula: C18H37NO3.C2H4O2
inchikey: FMYGYMKGDFGJPU-UHFFFAOYSA-N
norman_susdat_id: NS00093265
smiles: CCCCCCCCCCCCCC[NH+](CCO)CCO.CC(=O)[O-]
inchi:
InChI=1/C18H39NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21;1-2(3)4/h20-21H,2-18H2,1H3;1H3,(H,3,4)


name: Sucrose hexamyristate
cas: 94139-15-8
dtxsid: DTXSID70240799
formula: C96H178O17
inchikey: PAOHIYIQVZWVBD-IZYOOIPKSA-N
norman_susdat_id: NS00066712
pubchem_cid: NA
inchi:
InChI=1/C96H178O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-84(99)105-81-96(94(111-89(104)78-72-66-60-54-48-42-36-30-24-18-12-6)91(83(80-98)112-96)108-86(101)75-69-63-57-51-45-39-33-27-21-15-9-3)113-95-93(110-88(103)77-71-65-59-53-47-41-35-29-23-17-11-5)92(109-87(102)76-70-64-58-52-46-40-34-28-22-16-10-4)90(82(79-97)106-95)107-85(100)74-68-62-56-50-44-38-32-26-20-14-8-2/h82-83,90-95,97-98H,7-81H2,1-6H3

smiles:
O=C(OCC1(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCC)OC(CO)C(OC(=O)CCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC


name: Sucrose pentamyristate
cas: 94139-16-9
dtxsid: DTXSID20240800
formula: C82H152O16
inchikey: ABFDKRKCFJZBFY-KHTCFBCBSA-N
norman_susdat_id: NS00066476
pubchem_cid: NA
inchi:
InChI=1/C82H152O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-71(86)92-76-69(66-83)91-81(79(95-74(89)64-59-54-49-44-39-34-29-24-19-14-9-4)78(76)94-73(88)63-58-53-48-43-38-33-28-23-18-13-8-3)98-82(68-85)80(96-75(90)65-60-55-50-45-40-35-30-25-20-15-10-5)77(70(67-84)97-82)93-72(87)62-57-52-47-42-37-32-27-22-17-12-7-2/h69-70,76-81,83-85H,6-68H2,1-5H3

smiles:
O=C(OC1C(OC(CO)C(OC(=O)CCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCC)CO)CCCCCCCCCCCCC


name: Sucrose tetramyristate
cas: 94139-17-0
dtxsid: DTXSID80240801
formula: C68H126O15
inchikey: ZSORDERBHACQQH-PTUKTWBESA-N
norman_susdat_id: NS00066713
pubchem_cid: NA
inchi:
InChI=1/C68H126O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(72)78-63-57(54-70)82-68(55-71,66(63)81-61(75)52-48-44-40-36-32-28-24-20-16-12-8-4)83-67-65(80-60(74)51-47-43-39-35-31-27-23-19-15-11-7-3)64(62(76)56(53-69)77-67)79-59(73)50-46-42-38-34-30-26-22-18-14-10-6-2/h56-57,62-67,69-71,76H,5-55H2,1-4H3

smiles:
O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCC)CO)CCCCCCCCCCCCC


name: Sucrose hexastearate
cas: 94139-18-1
dtxsid: DTXSID40240802
formula: C120H226O17
inchikey: YMKWELBQDFUMAS-WDTUOMDDSA-N
norman_susdat_id: NS00066012
pubchem_cid: NA
inchi:
InChI=1/C120H226O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-108(123)129-105-120(118(135-113(128)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)115(107(104-122)136-120)132-110(125)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)137-119-117(134-112(127)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)116(133-111(126)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)114(106(103-121)130-119)131-109(124)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h106-107,114-119,121-122H,7-105H2,1-6H3

smiles:
O=C(OCC1(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCCCC)OC(CO)C(OC(=O)CCCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


name: Sucrose pentalaurate
cas: 94139-21-6
dtxsid: DTXSID00240803
formula: C72H132O16
inchikey: PIQIFOGXOVMODU-ICUSMKBQSA-N
norman_susdat_id: NS00066433
pubchem_cid: NA
inchi:
InChI=1/C72H132O16/c1-6-11-16-21-26-31-36-41-46-51-61(76)82-66-59(56-73)81-71(69(85-64(79)54-49-44-39-34-29-24-19-14-9-4)68(66)84-63(78)53-48-43-38-33-28-23-18-13-8-3)88-72(58-75)70(86-65(80)55-50-45-40-35-30-25-20-15-10-5)67(60(57-74)87-72)83-62(77)52-47-42-37-32-27-22-17-12-7-2/h59-60,66-71,73-75H,6-58H2,1-5H3

smiles:
O=C(OC1C(OC(CO)C(OC(=O)CCCCCCCCCCC)C1OC(=O)CCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCC)C2OC(=O)CCCCCCCCCCC)CO)CCCCCCCCCCC


name: Sucrose hexalaurate
cas: 94139-22-7
dtxsid: DTXSID60240804
formula: C84H154O17
inchikey: IPIILPJNEZLXFM-WGURRDFWSA-N
norman_susdat_id: NS00066159
pubchem_cid: 129727173
inchi:
InChI=1/C84H154O17/c1-7-13-19-25-31-37-43-49-55-61-72(87)93-69-84(82(99-77(92)66-60-54-48-42-36-30-24-18-12-6)79(71(68-86)100-84)96-74(89)63-57-51-45-39-33-27-21-15-9-3)101-83-81(98-76(91)65-59-53-47-41-35-29-23-17-11-5)80(97-75(90)64-58-52-46-40-34-28-22-16-10-4)78(70(67-85)94-83)95-73(88)62-56-50-44-38-32-26-20-14-8-2/h70-71,78-83,85-86H,7-69H2,1-6H3

smiles:
O=C(OCC1(OC2OC(CO)C(OC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)C2OC(=O)CCCCCCCCCCC)OC(CO)C(OC(=O)CCCCCCCCCCC)C1OC(=O)CCCCCCCCCCC)CCCCCCCCCCC


name: Benzenamine, 4,4'-[[1,1'-biphenyl]-2,5-diylbis(oxy)]bis-
cas: 94148-67-1
chemspiderid: 111364
dtxsid: DTXSID6072970
formula: C24H20N2O2
inchikey: JWRLKLYWXKMAFL-UHFFFAOYSA-N
norman_susdat_id: NS00022895
pubchem_cid: 125103
smiles: NC1=CC=C(OC2=CC(=C(OC3=CC=C(N)C=C3)C=C2)C2=CC=CC=C2)C=C1
inchi:
InChI=1S/C24H20N2O2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16H,25-26H2


name: N,N,N-trimethyl-4-[[4-[(4-nitrophenyl)azo]phenyl]amino]anilinium methyl sulphate
cas: 94157-76-3
formula: C21H23N5O2
inchikey: ICFWAEAVVOIYLC-UHFFFAOYSA-M
norman_susdat_id: NS00066160
pubchem_cid: 5744272
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](C)(C)C)C=C1.O=S(=O)([O-])OC
inchi:
InChI=1/C21H22N5O2.CH4O4S/c1-26(2,3)21-14-10-17(11-15-21)22-16-4-6-18(7-5-16)23-24-19-8-12-20(13-9-19)25(27)28;1-5-6(2,3)4/h4-15,22H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 94157-80-9
chemspiderid: 21166939
dtxsid: DTXSID50240813
formula: C34H30Cl1N7O14S4
inchikey: QROLPAZTPZXWHY-UHFFFAOYSA-K
norman_susdat_id: NS00020903
pubchem_cid: 44148016
name:
2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, potassium sodium salt

inchi:
InChI=1S/C34H30ClN7O14S4/c1-15-27(38-22-14-23(58(47,48)49)26(36)25-24(22)29(43)20-6-4-5-7-21(20)30(25)44)16(2)31(59(50,51)52)17(3)28(15)39-34-41-32(35)40-33(42-34)37-18-8-10-19(11-9-18)57(45,46)13-12-56-60(53,54)55/h4-11,14,38H,12-13,36H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,37,39,40,41,42)

smiles:
[Na+].[K+].Cc1c(Nc2c3C(=O)c4ccccc4C(=O)c3c(N)c(c2)S(=O)(=O)O)c(C)c(c(C)c1Nc1nc(Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)nc(Cl)n1)S(=O)(=O)O


cas: 94157-84-3
chemspiderid: 57523603
dtxsid: DTXSID10240814
formula: C25H31Br1O5
inchikey: GDOVIZMRQCTYJJ-ZRSUWSELSA-N
norman_susdat_id: NS00040170
pubchem_cid: 44144658
smiles: OC(CCC1CCCCC1)C(Br)=C[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)C1=CC=CC=C1
name:
(3aR-(3aalpha,4alpha(S*),5beta,6aalpha))-4-(2-Bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta(b)furan-5-yl benzoate

inchi:
InChI=1S/C25H31BrO5/c26-20(21(27)12-11-16-7-3-1-4-8-16)13-18-19-14-24(28)30-22(19)15-23(18)31-25(29)17-9-5-2-6-10-17/h2,5-6,9-10,13,16,18-19,21-23,27H,1,3-4,7-8,11-12,14-15H2/b20-13-/t18-,19-,21-,22+,23-/m1/s1


name: Phenyl cyclohexanepropionate
cas: 94157-86-5
chemspiderid: 2289862
dtxsid: DTXSID70240815
formula: C15H20O2
inchikey: RNUPUCDUAIHDBO-UHFFFAOYSA-N
norman_susdat_id: NS00040171
pubchem_cid: 21149793
smiles: O=C(CCC1CCCCC1)Oc1ccccc1
inchi:
InChI=1S/C15H20O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2


name: (butyl)[2-(diethylammonio)ethyl](1-naphthoyl)ammonium hydrogen citrate
cas: 94157-87-6
formula: C21H30N2O.C6H8O7
inchikey: ROPZWLPGYFZSSN-UHFFFAOYSA-M
norman_susdat_id: NS00093034
smiles: CCCC[NH+](CC[NH+](CC)CC)C(=O)c1cccc2ccccc12.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C21H30N2O.C6H8O7/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-14H,4-7,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1


name: 1-methyl-3-undecylindan
cas: 94157-88-7
dtxsid: DTXSID10916289
formula: C21H34
inchikey: UIMULSDDSCTUGL-UHFFFAOYSA-N
norman_susdat_id: NS00066033
pubchem_cid: 3023779
smiles: C=1C=CC2=C(C1)C(C)CC2CCCCCCCCCCC
inchi:
InChI=1/C21H34/c1-3-4-5-6-7-8-9-10-11-14-19-17-18(2)20-15-12-13-16-21(19)20/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3


name: N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(phenylmethyl)allylamino]phenyl]acetamide
cas: 94157-89-8
formula: C24H23ClN5O3
inchikey: JJYPRBNBVAHUKA-UHFFFAOYSA-N
norman_susdat_id: NS00066438
pubchem_cid: 21149794
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])N(CC=C)CC=3C=CC=CC3)C
inchi:
InChI=1/C24H22ClN5O3/c1-3-13-29(16-18-7-5-4-6-8-18)19-9-12-23(24(15-19)26-17(2)31)28-27-22-11-10-20(30(32)33)14-21(22)25/h3-12,14-15H,1,13,16H2,2H3,(H,26,31)


cas: 94157-90-1
formula: C22H27BrN6O8
inchikey: HNTHYIFATPHINP-UHFFFAOYSA-N
norman_susdat_id: NS00066692
pubchem_cid: 21149795
smiles: O=C(NC=1C=C(C(OC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC=C)CC(O)COC)C
name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)allylamino]-4-methoxyphenyl]acetamide

inchi:
InChI=1/C22H25BrN6O8/c1-5-6-27(11-15(31)12-36-3)19-9-17(24-13(2)30)18(10-21(19)37-4)25-26-22-16(23)7-14(28(32)33)8-20(22)29(34)35/h5,7-10,15,31H,1,6,11-12H2,2-4H3,(H,24,30)


cas: 94157-91-2
dtxsid: DTXSID30240816
formula: C18H12F8N2O3
inchikey: CMPKBGQTUDSZQK-UHFFFAOYSA-N
norman_susdat_id: NS00066693
pubchem_cid: 3023782
smiles: O=C(NC(=O)C=1C(F)=CC=CC1F)NC2=CC=C(C=C2C)C(O)(C(F)(F)F)C(F)(F)F
name:
2,6-difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide

inchi:
InChI=1/C18H12F8N2O3/c1-8-7-9(16(31,17(21,22)23)18(24,25)26)5-6-12(8)27-15(30)28-14(29)13-10(19)3-2-4-11(13)20/h2-7,31H,1H3,(H2,27,28,29,30)


cas: 94157-92-3
dtxsid: DTXSID90240817
formula: C19H14F8N2O3
inchikey: SJBKMIIWYQKNKW-UHFFFAOYSA-N
norman_susdat_id: NS00066439
pubchem_cid: 3023783
smiles: O=C(NC(=O)C=1C(F)=CC=CC1F)NC=2C=C(C(=CC2C)C(O)(C(F)(F)F)C(F)(F)F)C
name:
N-[[[2,5-dimethyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]-2,6-difluorobenzamide

inchi:
InChI=1/C19H14F8N2O3/c1-8-7-13(9(2)6-10(8)17(32,18(22,23)24)19(25,26)27)28-16(31)29-15(30)14-11(20)4-3-5-12(14)21/h3-7,32H,1-2H3,(H2,28,29,30,31)


name: Dibutyl(2-ethoxy-2-oxoethyl)phenethylammonium chloride
cas: 94157-98-9
dtxsid: DTXSID50916283
formula: C20H34NO2
inchikey: TYUGRSBROZQKDG-UHFFFAOYSA-M
norman_susdat_id: NS00066162
pubchem_cid: 21149796
smiles: [Cl-].O=C(OCC)C[N+](CCC=1C=CC=CC1)(CCCC)CCCC
inchi:
InChI=1/C20H34NO2.ClH/c1-4-7-15-21(16-8-5-2,18-20(22)23-6-3)17-14-19-12-10-9-11-13-19;/h9-13H,4-8,14-18H2,1-3H3;1H/q+1;/p-1


name: 1,1'-(Iminodiethane-2,1-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 94158-01-7
chemspiderid: 21166944
dtxsid: DTXSID10240819
formula: C10H17N7O2
inchikey: GATGYMBYAYXMFM-UHFFFAOYSA-N
norman_susdat_id: NS00040172
pubchem_cid: 44154287
smiles: NC1=NC(=O)CN1CCNCCN1CC(=O)N=C1N
inchi:
InChI=1S/C10H17N7O2/c11-9-14-7(18)5-16(9)3-1-13-2-4-17-6-8(19)15-10(17)12/h13H,1-6H2,(H2,11,14,18)(H2,12,15,19)


cas: 94158-02-8
formula: C16H11Cl3N4O4S
inchikey: FXSWVNDUAZVEHO-UHFFFAOYSA-M
norman_susdat_id: NS00066037
pubchem_cid: 3023792
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC=C2Cl)C3=CC(=CC=C3Cl)S(=O)(=O)[O-]
name:
Sodium 4-chloro-3-[4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

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


cas: 94158-03-9
formula: C16H11Cl3N4O4S
inchikey: INVNWHLQXQVRMB-UHFFFAOYSA-N
norman_susdat_id: NS00093107
smiles: OS(=O)(=O)c1ccc(Cl)c(c1)N3/N=C(/C)C(N=Nc2cc(Cl)ccc2Cl)C3=O
name:
4-chloro-3-[4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

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


name: Disodium 4-hydroxy-3-[[2-[4-(tert-pentyl)phenoxy]phenyl]azo]naphthalene-2,7-disulphonate
cas: 94158-04-0
formula: C27H26N2O8S2.2Na
inchikey: QITCDZCUYRWLTA-UHFFFAOYSA-L
norman_susdat_id: NS00093405
smiles: [Na+].[Na+].[O-]S(=O)(=O)c4cc1cc(ccc1c(O)c4N=Nc3ccccc3Oc2ccc(cc2)C(C)(C)CC)S([O-])(=O)=O
inchi:
InChI=1/C27H26N2O8S2.2Na/c1-4-27(2,3)18-9-11-19(12-10-18)37-23-8-6-5-7-22(23)28-29-25-24(39(34,35)36)16-17-15-20(38(31,32)33)13-14-21(17)26(25)30;;/h5-16,30H,4H2,1-3H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate
cas: 94158-09-5
formula: C20H44N.C12H6Cl3O2
inchikey: FHTZEIBBQYAKQS-UHFFFAOYSA-M
norman_susdat_id: NS00093048
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
inchi:
InChI=1/C20H44N.C12H7Cl3O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h5-20H2,1-4H3;1-6,16H/q+1;/p-1


name: Strontium 6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dienolate
cas: 94158-15-3
dtxsid: DTXSID40916277
formula: C6H7N4O6
inchi: InChI=1/2C6H3N4O6.Sr/c2*7-8-2-1-3(9(13)14)6(12)4(5(2)11)10(15)16;/h2*1,5,12H;/q2*-1;+2
inchikey: VUVNVCNNRMBYGT-UHFFFAOYSA-N
norman_susdat_id: NS00066442
pubchem_cid: 44151943
smiles:
[Sr+2].[N-]=[N+]=C1C=C(C(O)=C([N+](=O)[O-])C1[O-])[N+](=O)[O-].[N-]=[N+]=C1C=C(C(O)=C([N+](=O)[O-])C1[O-])[N+](=O)[O-]


cas: 94158-16-4
formula: C22H18N2O5
inchikey: NOGGZRFOTRDGBS-UHFFFAOYSA-N
norman_susdat_id: NS00066695
pubchem_cid: NA
smiles: Cl.O=C(O)C1=CC(C=CC1=N)=C(C2=CC=C(OC)C=C2)C3=CC=C(N)C(=C3)C(=O)O
name:
2-amino-5-[(3-carboxy-4-imino-2,5-cyclohexadien-1-ylidene)(4-methoxyphenyl)methyl]benzoic acid monohydrochloride

inchi:
InChI=1/C22H18N2O5.ClH/c1-29-15-6-2-12(3-7-15)20(13-4-8-18(23)16(10-13)21(25)26)14-5-9-19(24)17(11-14)22(27)28;/h2-11,23H,24H2,1H3,(H,25,26)(H,27,28);1H


name: [2-[3-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-1-propenyl]phenoxy]acetic acid
cas: 94158-17-5
formula: C21H18N2O4
inchikey: CPDCFQUIJBFGEV-UHFFFAOYSA-N
norman_susdat_id: NS00066443
pubchem_cid: NA
smiles: O=C(O)COC=1C=CC=CC1C=CC=C2C(=O)N(N=C2C)C=3C=CC=CC3
inchi:
InChI=1/C21H18N2O4/c1-15-18(21(26)23(22-15)17-10-3-2-4-11-17)12-7-9-16-8-5-6-13-19(16)27-14-20(24)25/h2-13H,14H2,1H3,(H,24,25)


cas: 94158-18-6
formula: C46H58N4O8S2
inchikey: VBGNPIRZRPOVDO-UHFFFAOYSA-L
norman_susdat_id: NS00066444
pubchem_cid: NA
name:
Disodium 6-[[4-hydroxy-3-[[[2-(methyloctadecylamino)-5-sulphonatophenyl]amino]carbonyl]-1-naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C46H58N4O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-50(2)44-28-27-38(60(56,57)58)32-43(44)47-46(52)41-33-42(39-21-18-19-22-40(39)45(41)51)49-48-36-25-23-35-31-37(59(53,54)55)26-24-34(35)30-36;;/h18-19,21-28,30-33,51H,3-17,20,29H2,1-2H3,(H,47,52)(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC=C1N(C)CCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-])C=2C=C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)[O-])C=5C=CC=CC5C2O


name: N-butyl-3-(cyanoacetyl)-N-phenylbenzenesulphonamide
cas: 94158-19-7
dtxsid: DTXSID80240826
formula: C19H20N2O3S
inchikey: MAPSJZHIZMKNOG-UHFFFAOYSA-N
norman_susdat_id: NS00066163
pubchem_cid: 3023799
smiles: N#CCC(=O)C1=CC=CC(=C1)S(=O)(=O)N(C=2C=CC=CC2)CCCC
inchi:
InChI=1/C19H20N2O3S/c1-2-3-14-21(17-9-5-4-6-10-17)25(23,24)18-11-7-8-16(15-18)19(22)12-13-20/h4-11,15H,2-3,12,14H2,1H3


name: Butan-2-one O,O',O''-((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silylidyne)oxime
cas: 94158-20-0
dtxsid: DTXSID40240827
formula: C20H28F13N3O3Si
inchikey: ZISUJVTZTBMJQZ-JSOHPWBTSA-N
norman_susdat_id: NS00110182
smiles: CCC(C)=NO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(ON=C(/C)CC)ON=C(/C)CC
inchi:
InChI=1S/C20H28F13N3O3Si/c1-7-12(4)34-37-40(38-35-13(5)8-2,39-36-14(6)9-3)11-10-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h7-11H2,1-6H3/b34-12+,35-13+,36-14+


cas: 94158-25-5
formula: C25H23Cl2N2O4S2.I
inchikey: XYDDQSVVNIJPCO-UHFFFAOYSA-N
norman_susdat_id: NS00093406
smiles: [I-].OC(=O)CC[n+]3c4cc(Cl)ccc4sc3C=C(CC)C=C2Sc1ccc(Cl)cc1N2CCC(O)=O
name:
3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide

inchi:
InChI=1/C25H22Cl2N2O4S2.HI/c1-2-15(11-22-28(9-7-24(30)31)18-13-16(26)3-5-20(18)34-22)12-23-29(10-8-25(32)33)19-14-17(27)4-6-21(19)35-23;/h3-6,11-14H,2,7-10H2,1H3,(H-,30,31,32,33);1H


cas: 94158-26-6
dtxsid: DTXSID00916273
formula: C25H24ClN2O4S2
inchikey: PXLJFIRTAZSCIJ-UHFFFAOYSA-N
norman_susdat_id: NS00066697
pubchem_cid: NA
smiles: [I-].O=C(O)CCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CCC(=O)O)CC
name:
3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium iodide

inchi:
InChI=1/C25H23ClN2O4S2.HI/c1-2-16(13-22-27(11-9-24(29)30)18-5-3-4-6-20(18)33-22)14-23-28(12-10-25(31)32)19-15-17(26)7-8-21(19)34-23;/h3-8,13-15H,2,9-12H2,1H3,(H-,29,30,31,32);1H


cas: 94158-28-8
formula: C27H33N2O4S3
inchikey: KFVFKGQKRJSOCK-UHFFFAOYSA-N
norman_susdat_id: NS00066039
pubchem_cid: NA
smiles: O=S(=O)([O-])CC(O)CN1C(SC2=CC=C(C=C21)C)=CC(=CC=3SC=4C=C(C(=CC4[N+]3CC)C)C)CC
name:
3-ethyl-2-[2-[[3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium

inchi:
InChI=1/C27H32N2O4S3/c1-6-20(13-26-28(7-2)23-11-18(4)19(5)12-25(23)35-26)14-27-29(15-21(30)16-36(31,32)33)22-10-17(3)8-9-24(22)34-27/h8-14,21,30H,6-7,15-16H2,1-5H3


cas: 94158-29-9
formula: C30H27N3O8S2
inchikey: BNGYUMXRXTYVRF-UHFFFAOYSA-N
norman_susdat_id: NS00066698
pubchem_cid: 3023806
smiles: O=C1C(=CC2=CC=C(C=C2)NCC3=CC=C(OCC)C(=C3)S(=O)(=O)O)C(=NN1C4=CC=C5C=C(C=CC5=C4)S(=O)(=O)O)C
name:
6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid

inchi:
InChI=1/C30H27N3O8S2/c1-3-41-28-13-6-21(15-29(28)43(38,39)40)18-31-24-9-4-20(5-10-24)14-27-19(2)32-33(30(27)34)25-11-7-23-17-26(42(35,36)37)12-8-22(23)16-25/h4-17,31H,3,18H2,1-2H3,(H,35,36,37)(H,38,39,40)


cas: 94158-30-2
formula: C28H34N2O3S2Se
inchikey: GGHANVPJVVJWKM-UHFFFAOYSA-N
norman_susdat_id: NS00093407
smiles: CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC(C)CS([O-])(=O)=O
name:
3-ethyl-5,6-dimethyl-2-[2-[[5-methyl-3-(2-methyl-3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzothiazolium

inchi:
InChI=1/C28H34N2O3S2Se/c1-7-22(14-27-29(8-2)23-12-20(5)21(6)13-25(23)34-27)15-28-30(16-19(4)17-35(31,32)33)24-11-18(3)9-10-26(24)36-28/h9-15,19H,7-8,16-17H2,1-6H3


cas: 94158-33-5
dtxsid: DTXSID80916271
formula: C30H31N2OS
inchikey: DYOSRFIQCCLZQY-UHFFFAOYSA-M
norman_susdat_id: NS00066040
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O1C2=CC=C(C=C2[N+](=C1C=C(C=C3SC=4C=C(C(=CC4N3CC)C)C)C)CC)C=5C=CC=CC5
name:
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-phenylbenzoxazolium p-toluenesulphonate

inchi:
InChI=1/C30H31N2OS.C7H8O3S/c1-6-31-25-19-24(23-11-9-8-10-12-23)13-14-27(25)33-29(31)15-20(3)16-30-32(7-2)26-17-21(4)22(5)18-28(26)34-30;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine maleate
cas: 94158-34-6
formula: C18H20N2.C4H4O4
inchikey: WYSQBVHSFFNHKM-BTJKTKAUSA-N
norman_susdat_id: NS00093117
smiles: CN1CCN2C(C1)c3ccccc3Cc4ccccc24.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C18H20N2.C4H4O4/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)


name: 4-(1,1-dimethylethyl)-2-[[4-(1,1-dimethylethyl)-2-hydroxyphenyl]dithio]phenol
cas: 94158-36-8
formula: C20H26O2S2
inchikey: GTGSWTJNEBSPOT-UHFFFAOYSA-N
norman_susdat_id: NS00066445
pubchem_cid: 113584
smiles: OC1=CC=C(C=C1SSC2=CC=C(C=C2O)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C20H26O2S2/c1-19(2,3)13-8-10-17(16(22)11-13)23-24-18-12-14(20(4,5)6)7-9-15(18)21/h7-12,21-22H,1-6H3


name: (3,6,9,12,15,18,21-heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioate
cas: 94158-39-1
formula: C36H68O11
inchikey: LFTOSWHCXZSBCJ-UHFFFAOYSA-N
norman_susdat_id: NS00066075
pubchem_cid: 57356593
smiles: O=C(O)C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H68O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40-21-22-41-23-24-42-25-26-43-27-28-44-29-30-45-31-32-46-33-34-47-36(39)19-18-35(37)38/h18-19H,2-17,20-34H2,1H3,(H,37,38)


cas: 94158-41-5
formula: C41H30N10O13S3
inchikey: SUYUHGMCJSLRNO-UHFFFAOYSA-J
norman_susdat_id: NS00066076
pubchem_cid: NA
name:
Tetrasodium 5-[[4'-[[8-amino-7-[[5-amino-2-[(4-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C41H30N10O13S3.4Na/c42-24-5-15-31(48-45-27-10-13-29(14-11-27)65(56,57)58)32(19-24)49-50-38-34(66(59,60)61)17-23-18-35(67(62,63)64)39(40(53)36(23)37(38)43)51-46-26-8-3-22(4-9-26)21-1-6-25(7-2-21)44-47-28-12-16-33(52)30(20-28)41(54)55;;;;/h1-20,52-53H,42-43H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C=5C(C=C4S(=O)(=O)[O-])=CC(=C(N=NC6=CC(N)=CC=C6N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C5N)S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 94158-42-6
formula: C60H47N17O22S4
inchikey: LWUYVRQRTOUVIV-UHFFFAOYSA-J
norman_susdat_id: NS00066184
pubchem_cid: 44149879
name:
Tetrasodium 3,3'-[iminobis[[4-hydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-2,1-phenylene]azo-4,1-phenyleneimino]]bis[6-nitrobenzenesulphonate]

inchi:
InChI=1/C60H43N17O22S4.4Na/c78-55-31-47(49(70-66-37-9-1-33(2-10-37)61-41-17-23-53(76(84)85)59(25-41)102(94,95)96)29-51(55)72-68-39-13-5-35(6-14-39)63-45-21-19-43(74(80)81)27-57(45)100(88,89)90)65-48-32-56(79)52(73-69-40-15-7-36(8-16-40)64-46-22-20-44(75(82)83)28-58(46)101(91,92)93)30-50(48)71-67-38-11-3-34(4-12-38)62-42-18-24-54(77(86)87)60(26-42)103(97,98)99;;;;/h1-32,61-65,78-79H,(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=C(N=NC4=CC=C(C=C4)NC5=CC=C(C(=C5)S(=O)(=O)[O-])[N+](=O)[O-])C(=CC3O)NC6=CC(O)=C(N=NC7=CC=C(C=C7)NC8=CC=C(C=C8S(=O)(=O)[O-])[N+](=O)[O-])C=C6N=NC9=CC=C(C=C9)NC%10=CC=C(C(=C%10)S(=O)(=O)[O-])[N+](=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: alpha,alpha-Bis(4-(diethylamino)phenyl)-4-((4-ethoxyphenyl)amino)naphthalene-1-methanol
cas: 94158-48-2
chemspiderid: 10144682
dtxsid: DTXSID10240834
formula: C39H45N3O2
inchikey: ZINZGONCUCSXAE-UHFFFAOYSA-N
norman_susdat_id: NS00040175
pubchem_cid: 11971301
smiles: CCOC1=CC=C(NC2=CC=C(C3=CC=CC=C23)C(O)(C2=CC=C(C=C2)N(CC)CC)C2=CC=C(C=C2)N(CC)CC)C=C1
inchi:
InChI=1S/C39H45N3O2/c1-6-41(7-2)32-21-15-29(16-22-32)39(43,30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)44-10-5/h11-28,40,43H,6-10H2,1-5H3


name: N5-((D-Gluconoylamino)iminomethyl)-L-ornithine
cas: 94158-49-3
chemspiderid: 57523606
dtxsid: DTXSID70240835
formula: C12H24N4O8
inchikey: RCKGJGAHKOJABY-LOLPMWEVSA-N
norman_susdat_id: NS00040176
pubchem_cid: 44145899
smiles: N[C@@H](CCCN=CNNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
inchi:
InChI=1S/C12H24N4O8/c13-6(12(23)24)2-1-3-14-5-15-16-11(22)10(21)9(20)8(19)7(18)4-17/h5-10,17-21H,1-4,13H2,(H,14,15)(H,16,22)(H,23,24)/t6-,7+,8+,9-,10+/m0/s1


name: 1-[5-[[[(4-chlorophenyl)amino]carbonyl]amino]-o-tolyl]-3-(p-tolyl)urea
cas: 94158-50-6
formula: C22H21ClN4O2
inchikey: LTYXXRYNGCCBLH-UHFFFAOYSA-N
norman_susdat_id: NS00066455
pubchem_cid: 3023811
smiles: O=C(NC1=CC=C(Cl)C=C1)NC2=CC=C(C(=C2)NC(=O)NC3=CC=C(C=C3)C)C
inchi:
InChI=1/C22H21ClN4O2/c1-14-3-8-17(9-4-14)25-22(29)27-20-13-19(10-5-15(20)2)26-21(28)24-18-11-6-16(23)7-12-18/h3-13H,1-2H3,(H2,24,26,28)(H2,25,27,29)


name: (4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl) hydrogen fumarate
cas: 94158-54-0
chemspiderid: 10731347
dtxsid: DTXSID30240836
formula: C19H18O5
inchikey: YGVINVPNQKMIAI-VAWYXSNFSA-N
norman_susdat_id: NS00040177
pubchem_cid: 18469720
smiles: CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)/C=C/C(=O)O)cc1
inchi:
InChI=1S/C19H18O5/c1-19(2,13-3-7-15(20)8-4-13)14-5-9-16(10-6-14)24-18(23)12-11-17(21)22/h3-12,20H,1-2H3,(H,21,22)/b12-11+


name: (dodecyl)trimethylammonium 2,2,3,3-tetrafluoropropionate
cas: 94158-60-8
formula: C15H34N.C3HF4O2
inchikey: ORNIFVVKJYQEGF-UHFFFAOYSA-M
norman_susdat_id: NS00093119
smiles: CCCCCCCCCCCC[N+](C)(C)C.[O-]C(=O)C(F)(F)C(F)F
inchi:
InChI=1/C15H34N.C3H2F4O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;4-1(5)3(6,7)2(8)9/h5-15H2,1-4H3;1H,(H,8,9)/q+1;/p-1


name: 1-(2-(2-Butoxyethoxy)ethoxy)3-(perfluorooctyl)propan-2-ol
cas: 94158-61-9
chemspiderid: 2289885
dtxsid: DTXSID20881136
formula: C19H23F17O4
inchikey: RAGJTPVWQPJXKH-UHFFFAOYSA-N
norman_susdat_id: NS00019337
pubchem_cid: 3023815
smiles: CCCCOCCOCCOCC(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=1S/C19H23F17O4/c1-2-3-4-38-5-6-39-7-8-40-10-11(37)9-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h11,37H,2-10H2,1H3


name: 1-(Perfluoro-7-methyloctyl)-4,7,10-trioxatetradecan-2-ol
cas: 94158-62-0
chemspiderid: 2289886
dtxsid: DTXSID80881137
formula: C20H23F19O4
inchikey: AGXPCTAFKVXMEO-UHFFFAOYSA-N
norman_susdat_id: NS00010942
pubchem_cid: 3023816
smiles: C(OCCOCCOCCCC)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C20H23F19O4/c1-2-3-4-41-5-6-42-7-8-43-10-11(40)9-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39/h11,40H,2-10H2,1H3


name: (Perfluoro-15-methylhexadecyl)ethyl acrylate
cas: 94158-63-1
chemspiderid: 17334204
dtxsid: DTXSID10240839
formula: C22H7F35O2
inchikey: QOFPQLOFSZXYPY-UHFFFAOYSA-N
norman_susdat_id: NS00011007
pubchem_cid: 16206027
inchi:
InChI=1S/C22H7F35O2/c1-2-5(58)59-4-3-6(23,24)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)18(46,47)20(50,51)19(48,49)17(44,45)15(40,41)13(36,37)11(32,33)9(28,29)7(25,21(52,53)54)22(55,56)57/h2H,1,3-4H2

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)COC(=O)C=C


name: ((Perfluoro-13-methyltetradecyl)ethyl) methacrylate
cas: 94158-64-2
chemspiderid: 17334205
dtxsid: DTXSID20240840
formula: C21H9F31O2
inchikey: WSPGUHLVXPTGNB-UHFFFAOYSA-N
norman_susdat_id: NS00011004
pubchem_cid: 16206028
inchi:
InChI=1S/C21H9F31O2/c1-5(2)6(53)54-4-3-7(22,23)9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)18(43,44)16(39,40)14(35,36)12(31,32)10(27,28)8(24,20(47,48)49)21(50,51)52/h1,3-4H2,2H3

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


name: (Perfluoro-15-methylhexadecyl)ethyl methacrylate
cas: 94158-65-3
chemspiderid: 17334206
dtxsid: DTXSID80240841
formula: C23H9F35O2
inchikey: BEMICOOQLAQVTK-UHFFFAOYSA-N
norman_susdat_id: NS00011008
pubchem_cid: 16206029
inchi:
InChI=1S/C23H9F35O2/c1-5(2)6(59)60-4-3-7(24,25)9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)20(49,50)18(45,46)16(41,42)14(37,38)12(33,34)10(29,30)8(26,22(53,54)55)23(56,57)58/h1,3-4H2,2H3

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)COC(=O)C(C)=C


name: ((Perfluorododecyl)methyl)oxirane
cas: 94158-66-4
chemspiderid: 4675728
dtxsid: DTXSID40881138
formula: C15H5F25O1
inchikey: QAXVXGRPJJMLJF-UHFFFAOYSA-N
norman_susdat_id: NS00019338
pubchem_cid: 5744280
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
inchi:
InChI=1S/C15H5F25O/c16-4(17,1-3-2-41-3)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/h3H,1-2H2


name: ((Perfluorotetradecyl)methyl)oxirane
cas: 94158-67-5
chemspiderid: 4675729
dtxsid: DTXSID00881139
formula: C17H5F29O1
inchikey: WCTXFFMYNHVNSS-UHFFFAOYSA-N
norman_susdat_id: NS00019339
pubchem_cid: 5744281
inchi:
InChI=1S/C17H5F29O/c18-4(19,1-3-2-47-3)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/h3H,1-2H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1


name: ((Perfluorohexadecyl)methyl)oxirane
cas: 94158-68-6
chemspiderid: 4675730
dtxsid: DTXSID10881140
formula: C19H5F33O1
inchikey: RKMNPJDKZVNTFV-UHFFFAOYSA-N
norman_susdat_id: NS00019340
pubchem_cid: 5744282
inchi:
InChI=1S/C19H5F33O/c20-4(21,1-3-2-53-3)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/h3H,1-2H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1


name: (Perfluorooctyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94158-69-7
chemspiderid: 2299108
dtxsid: DTXSID70881141
formula: C11H8F17O5P1
inchikey: ZAAFLQNFGSTNRW-UHFFFAOYSA-N
norman_susdat_id: NS00019341
pubchem_cid: 3034685
smiles: 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=1S/C11H8F17O5P/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)


name: 3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate
cas: 94158-70-0
chemspiderid: 17334207
dtxsid: DTXSID90881143
formula: C13H8F21O5P1
inchikey: NQLRFTJXTHUSEC-UHFFFAOYSA-N
norman_susdat_id: NS00010951
pubchem_cid: 16206030
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)F)C(O)CO[P](O)(O)=O
inchi:
InChI=1S/C13H8F21O5P/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)


name: Cinnamic acid, compound with quinolin-8-ol (1:1)
cas: 94158-73-3
formula: C9H8O2.C9H7NO
inchikey: JSOINFWKOHUFBG-UETGHTDLSA-N
norman_susdat_id: NS00093248
smiles: OC(=O)\C=C\c1ccccc1.Oc2cccc3cccnc23
inchi:
InChI=1/C9H7NO.C9H8O2/c11-8-5-1-3-7-4-2-6-10-9(7)8;10-9(11)7-6-8-4-2-1-3-5-8/h1-6,11H;1-7H,(H,10,11)


name: Diammonium 4,4'-(ethylenediimino)bis[4-oxobutyrate]
cas: 94158-75-5
formula: C10H16N2O6.2H3N
inchikey: UOGRUYUDAUFIAE-UHFFFAOYSA-N
norman_susdat_id: NS00093249
smiles: [NH4+].[NH4+].[O-]C(=O)CCC(=O)NCCNC(=O)CCC(=O)[O-]
inchi:
InChI=1/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3


cas: 94158-77-7
dtxsid: DTXSID90916262
formula: C16H29N2O5
inchikey: YEILAPRIDAKPAE-UHFFFAOYSA-N
norman_susdat_id: NS00066098
pubchem_cid: NA
smiles: [Na+].[Na+].[OH-].O=C(O)COCC[N+]1(C(=NCC1)C(CC)CCCC)CC(=O)O
name:
Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-2-(1-ethylpentyl)-4,5-dihydro-1H-imidazolium hydroxide

inchi:
InChI=1/C16H28N2O5.2Na.H2O/c1-3-5-6-13(4-2)16-17-7-8-18(16,11-14(19)20)9-10-23-12-15(21)22;;;/h13H,3-12H2,1-2H3,(H-,19,20,21,22);;;1H2/q;2*+1;


cas: 94158-79-9
inchikey: LPICDELXXFHFOX-UHFFFAOYSA-H
norman_susdat_id: NS00078496
name:
4,4'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis[5-hydroxy-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic] acid, sodium salt

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Oc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS([O-])(=O)=O)c(cc2cc(cc(Nc3nc(Cl)nc(Nc4cc(cc5cc(c(N=Nc6ccc(cc6)S(=O)(=O)CCOS([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O)n3)c12)S([O-])(=O)=O)S([O-])(=O)=O


name: 1,4-Diamino-2,3,5-trichloro-8-hydroxyanthraquinone
cas: 94158-81-3
chemspiderid: 17334208
dtxsid: DTXSID60240844
formula: C14H7Cl3N2O3
inchikey: ZXMUCTGIHDSPBT-UHFFFAOYSA-N
norman_susdat_id: NS00040178
pubchem_cid: 16206031
smiles: Nc1c(Cl)c(Cl)c(N)c2c1C(=O)c1c(O)ccc(Cl)c1C2=O
inchi:
InChI=1S/C14H7Cl3N2O3/c15-3-1-2-4(20)6-5(3)13(21)7-8(14(6)22)12(19)10(17)9(16)11(7)18/h1-2,20H,18-19H2


cas: 94158-85-7
dtxsid: DTXSID40240847
formula: C19H24N6O14S4
inchikey: QGAARQJCGSHJDQ-UHFFFAOYSA-N
norman_susdat_id: NS00066099
pubchem_cid: 44148227
smiles: [Na+].N#CC1=C(N=C(NCCOS(=O)(=O)O)C(N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)=C1C)NCCOS(=O)(=O)O
name:
4-methyl-2,6-bis[[2-(sulphooxy)ethyl]amino]-5-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]nicotinonitrile, sodium salt

inchi:
InChI=1/C19H24N6O14S4.Na/c1-13-16(12-20)18(21-6-8-37-41(28,29)30)23-19(22-7-9-38-42(31,32)33)17(13)25-24-14-2-4-15(5-3-14)40(26,27)11-10-39-43(34,35)36;/h2-5H,6-11H2,1H3,(H2,21,22,23)(H,28,29,30)(H,31,32,33)(H,34,35,36);/q;+1


name: 6-Amino-5-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt
cas: 94158-89-1
chemspiderid: 57495275
dtxsid: DTXSID60240849
formula: C18H17N3O9S3
inchikey: RFSWUILVAUWEBD-SERMZQFOSA-L
norman_susdat_id: NS00040179
pubchem_cid: NA
smiles: [Na+].Nc1ccc2cc(ccc2c1N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H17N3O9S3/c19-17-8-1-12-11-15(32(24,25)26)6-7-16(12)18(17)21-20-13-2-4-14(5-3-13)31(22,23)10-9-30-33(27,28)29/h1-8,11H,9-10,19H2,(H,24,25,26)(H,27,28,29)/b21-20+


name: 2-[formyl(2-hydroxyethyl)amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 94158-91-5
formula: C23H41NO4
inchikey: ANOSNTXCZJBWIY-HZJYTTRNSA-N
norman_susdat_id: NS00066187
pubchem_cid: 20833818
smiles: O=CN(CCO)CCOC(=O)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C23H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)28-21-19-24(22-26)18-20-25/h6-7,9-10,22,25H,2-5,8,11-21H2,1H3


name: N-[3-[(3-aminopropyl)(1-oxooctadecyl)amino]propyl]aminoacetate sodium monoacetate
cas: 94158-93-7
dtxsid: DTXSID30240851
formula: C26H53N3O3
inchikey: IHUALAMPAJHSFJ-UHFFFAOYSA-L
norman_susdat_id: NS00066214
pubchem_cid: NA
smiles: [Na+].O=C([O-])C.O=C([O-])CNCCCN(C(=O)CCCCCCCCCCCCCCCCC)CCCN
inchi:
InChI=1/C26H53N3O3.C2H4O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(30)29(22-17-20-27)23-18-21-28-24-26(31)32;1-2(3)4;/h28H,2-24,27H2,1H3,(H,31,32);1H3,(H,3,4);/q;;+1/p-2


name: 2-methylheptadecyl methacrylate
cas: 94159-01-0
dtxsid: DTXSID60916254
formula: C22H42O2
inchikey: CIWPQRKLSCWPBV-UHFFFAOYSA-N
norman_susdat_id: NS00066004
pubchem_cid: 3023829
smiles: O=C(OCC(C)CCCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C22H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19-24-22(23)20(2)3/h21H,2,5-19H2,1,3-4H3


name: 2-methyloctadecyl methacrylate
cas: 94159-02-1
dtxsid: DTXSID00916253
formula: C23H44O2
inchikey: DTRWHMDQVSSTEB-UHFFFAOYSA-N
norman_susdat_id: NS00065505
pubchem_cid: 3023830
smiles: O=C(OCC(C)CCCCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C23H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4)20-25-23(24)21(2)3/h22H,2,5-20H2,1,3-4H3


name: 2-methylnonadecyl methacrylate
cas: 94159-03-2
dtxsid: DTXSID40916252
formula: C24H46O2
inchikey: SMGFNKBXAUWIPP-UHFFFAOYSA-N
norman_susdat_id: NS00065506
pubchem_cid: 3023831
smiles: O=C(OCC(C)CCCCCCCCCCCCCCCCC)C(=C)C
inchi:
InChI=1/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4)21-26-24(25)22(2)3/h23H,2,5-21H2,1,3-4H3


cas: 94159-04-3
chemspiderid: 10144683
dtxsid: DTXSID90240852
formula: C39H26Cl1N9O17S5
inchikey: PXJCQWAOSXBGAV-DSIMXMMZSA-N
norman_susdat_id: NS00040180
pubchem_cid: NA
name:
7-((4-((4-((5-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-2-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid

inchi:
InChI=1S/C39H26ClN9O17S5/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47)/b49-48+

smiles:
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc(Nc3nc(Nc4ccc(cc4)N=Nc4cc(c5cc(cc(c5c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)nc(Cl)n3)c(cc2)S(=O)(=O)O)cc1S(=O)(=O)O


cas: 94159-05-4
formula: C39H26ClN9O17S5.5Na
inchikey: KFRWQMRFNAXWAV-UHFFFAOYSA-I
norman_susdat_id: NS00093019
name:
Pentasodium 7-[[4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C39H26ClN9O17S5.5Na/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51;;;;;/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5cc(Nc4nc(Nc3ccc(N=Nc2cc1c(cc(cc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3)nc(Cl)n4)c(cc5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O


cas: 94159-06-5
chemspiderid: 145732
dtxsid: DTXSID10240854
formula: C29H28Cl2N4O7S1
inchikey: JCMYEBPPMIUWCN-UHFFFAOYSA-N
norman_susdat_id: NS00040181
pubchem_cid: 166519
smiles: Cc1c(CNC(=O)CCl)c(C)c(Nc2c3C(=O)c4ccccc4C(=O)c3c(N)c(c2)S(=O)(=O)O)c(C)c1CNC(=O)CCl
name:
1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)


cas: 94159-07-6
formula: C28H22ClN7O10S2
inchikey: TUZQYAXRJPZJNH-UHFFFAOYSA-N
norman_susdat_id: NS00092732
smiles: Clc2nc(Nc1ccc(OC)cc1S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(cc3)C(O)=O)c(O)c5cc4)S(O)(=O)=O
name:
4-[[6-[[4-chloro-6-[(4-methoxy-2-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]benzoic acid

inchi:
InChI=1/C28H22ClN7O10S2/c1-36(28-32-26(29)31-27(33-28)30-20-10-8-18(46-2)13-21(20)47(40,41)42)17-7-9-19-15(11-17)12-22(48(43,44)45)23(24(19)37)35-34-16-5-3-14(4-6-16)25(38)39/h3-13,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33)


name: 1-methyl-4-[(methylphenylhydrazono)methyl]pyridinium sulphate (2:1)
cas: 94159-08-7
formula: C14H16N3.1/2O4S
inchikey: IWDCIWVJLDMNCN-UHFFFAOYSA-L
norman_susdat_id: NS00092752
smiles: [O-]S([O-])(=O)=O.C[n+]2ccc(C=NN(C)c1ccccc1)cc2.C[n+]2ccc(C=NN(C)c1ccccc1)cc2
inchi:
InChI=1/2C14H16N3.H2O4S/c2*1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2


cas: 94159-09-8
formula: C47H36N12O15S3
inchikey: WDPUTVMCEHVBRT-UHFFFAOYSA-N
norman_susdat_id: NS00065507
pubchem_cid: NA
name:
Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-

inchi:
InChI=1/C47H36N12O15S3/c1-25-41(57-56-37-19-18-34(75(66,67)68)24-35(37)43(62)63)42(61)59(58-25)33-17-10-27(40(23-33)77(72,73)74)8-7-26-9-11-31(22-39(26)76(69,70)71)50-47-52-45(48-28-5-3-2-4-6-28)51-46(53-47)49-29-12-14-30(15-13-29)54-55-32-16-20-38(60)36(21-32)44(64)65/h2-24,41,60H,1H3,(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,48,49,50,51,52,53)

smiles:
O=C(O)C1=CC(N=NC2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)N6N=C(C)C(N=NC7=CC=C(C=C7C(=O)O)S(=O)(=O)O)C6=O)C(=C4)S(=O)(=O)O)NC=8C=CC=CC8)=CC=C1O


cas: 94159-10-1
formula: C47H36N12O15S3.xNa
inchikey: BYLHCRNHTTXIPJ-UHFFFAOYSA-M
norman_susdat_id: NS00093020
name:
Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-, sodium salt

inchi:
InChI=1/C47H36N12O15S3.Na/c1-25-41(57-56-37-19-18-34(75(66,67)68)24-35(37)43(62)63)42(61)59(58-25)33-17-10-27(40(23-33)77(72,73)74)8-7-26-9-11-31(22-39(26)76(69,70)71)50-47-52-45(48-28-5-3-2-4-6-28)51-46(53-47)49-29-12-14-30(15-13-29)54-55-32-16-20-38(60)36(21-32)44(64)65;/h2-24,41,60H,1H3,(H,62,63)(H,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,48,49,50,51,52,53);/q;+1/p-1

smiles:
[Na+].OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc4nc(Nc3ccccc3)nc(n4)Nc8ccc(C=Cc5ccc(cc5S(O)(=O)=O)N7/N=C(/C)C(N=Nc6ccc(cc6C([O-])=O)S(O)(=O)=O)C7=O)c(c8)S(O)(=O)=O


name: 4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]benzenesulphonic acid
cas: 94159-11-2
formula: C18H14N4O5S
inchikey: FGFMVLRFODPHHN-UHFFFAOYSA-N
norman_susdat_id: NS00093318
smiles: Oc2c(ccc(O)c2N=Nc1ccccc1)N=Nc3ccc(cc3)S(O)(=O)=O
inchi:
InChI=1/C18H14N4O5S/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27/h1-11,23-24H,(H,25,26,27)


name: Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine (1:4)
cas: 94159-17-8
formula: C3H6N6.1/4H4O7P2
inchikey: UDDSMXIMOQWORT-UHFFFAOYSA-N
norman_susdat_id: NS00093319
smiles: Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.Nc3nc(N)nc(N)n3.Nc4nc(N)nc(N)n4.OP(=O)(O)OP(=O)(O)O
inchi:
InChI=1/4C3H6N6.H4O7P2/c4*4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h4*(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)


name: Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)
cas: 94159-19-0
formula: C10H18O4.2C3H6N6
inchikey: GNRLRPDUWRTDOE-UHFFFAOYSA-N
norman_susdat_id: NS00092739
smiles: Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.2C3H6N6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*4-1-7-2(5)9-3(6)8-1/h1-8H2,(H,11,12)(H,13,14);2*(H6,4,5,6,7,8,9)


name: Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate
cas: 94159-22-5
dtxsid: DTXSID30916246
formula: C16H21ClO3
inchikey: HPBVHSNFPAZXRA-UHFFFAOYSA-N
norman_susdat_id: NS00065557
pubchem_cid: 3023834
smiles: O=C(OC1CCCCC1)C(OC2=CC=C(Cl)C=C2C)C
inchi:
InChI=1/C16H21ClO3/c1-11-10-13(17)8-9-15(11)19-12(2)16(18)20-14-6-4-3-5-7-14/h8-10,12,14H,3-7H2,1-2H3


cas: 94159-27-0
dtxsid: DTXSID20240860
formula: C21H25N2O4
inchikey: VBYAGSJMNYXFCJ-UHFFFAOYSA-N
norman_susdat_id: NS00066007
pubchem_cid: 44148189
smiles: [Cl-].O=C1OC2=CC=C3C=CC=CC3=C2C=C1C(=O)NCCC[N+](C)(C)CCO
name:
(2-hydroxyethyl)dimethyl[3-[[(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)carbonyl]amino]propyl]ammonium chloride

inchi:
InChI=1/C21H24N2O4.ClH/c1-23(2,12-13-24)11-5-10-22-20(25)18-14-17-16-7-4-3-6-15(16)8-9-19(17)27-21(18)26;/h3-4,6-9,14,24H,5,10-13H2,1-2H3;1H


name: Bis[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] malate
cas: 94159-28-1
dtxsid: DTXSID50916243
formula: C46H86O11
inchikey: XRDRHFBPZOXMOL-UHFFFAOYSA-N
norman_susdat_id: NS00065536
pubchem_cid: 3023835
smiles: O=C(OCC(O)COC(=O)CC(O)C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C46H86O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)54-36-40(47)38-56-45(52)35-42(49)46(53)57-39-41(48)37-55-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,47-49H,3-39H2,1-2H3


name: 7-(alpha-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
cas: 94159-34-9
chemspiderid: 21166990
dtxsid: DTXSID20240865
formula: C21H20O10
inchikey: KMOUJOKENFFTPU-RQXATKFSSA-N
norman_susdat_id: NS00040184
pubchem_cid: 12304095
smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1


name: Ethyl bis(3,5-dibromo-4-hydroxyphenyl)acetate
cas: 94159-40-7
chemspiderid: 2289912
dtxsid: DTXSID70240870
formula: C16H12Br4O4
inchikey: XOOQSZKRNMZVKK-UHFFFAOYSA-N
norman_susdat_id: NS00040189
pubchem_cid: 3023844
smiles: CCOC(=O)C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C16H12Br4O4/c1-2-24-16(23)13(7-3-9(17)14(21)10(18)4-7)8-5-11(19)15(22)12(20)6-8/h3-6,13,21-22H,2H2,1H3


name: Bis(3,5-dibromo-4-hydroxyphenyl)acetic acid
cas: 94159-41-8
chemspiderid: 2289913
dtxsid: DTXSID30240871
formula: C14H8Br4O4
inchikey: FVYXZKBOFHWUDL-UHFFFAOYSA-N
norman_susdat_id: NS00040190
pubchem_cid: 3023845
smiles: OC(=O)C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C14H8Br4O4/c15-7-1-5(2-8(16)12(7)19)11(14(21)22)6-3-9(17)13(20)10(18)4-6/h1-4,11,19-20H,(H,21,22)


name: N-ethyl-4-(triphenylmethyl)aniline
cas: 94159-44-1
dtxsid: DTXSID30916241
formula: C27H25N
inchikey: KPVHNMPZJYOBCU-UHFFFAOYSA-N
norman_susdat_id: NS00066554
pubchem_cid: 3023846
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C4=CC=C(C=C4)NCC
inchi:
InChI=1/C27H25N/c1-2-28-26-20-18-25(19-21-26)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21,28H,2H2,1H3


name: Ethyl N-((2-(2,4-diisopropylbenzenesulphonylamino))benzoyl)anthranilate
cas: 94159-45-2
chemspiderid: 35797585
dtxsid: DTXSID10240874
formula: C28H32N2O5S1
inchikey: LUNSKFZNTJWHMJ-UHFFFAOYSA-N
norman_susdat_id: NS00040192
pubchem_cid: 3023847
smiles: CCOC(=O)c1ccccc1NC(=O)c1c(NS(=O)(=O)c2c(cc(cc2)C(C)C)C(C)C)cccc1
inchi:
InChI=1S/C28H32N2O5S/c1-6-35-28(32)22-12-8-9-13-24(22)29-27(31)21-11-7-10-14-25(21)30-36(33,34)26-16-15-20(18(2)3)17-23(26)19(4)5/h7-19,30H,6H2,1-5H3,(H,29,31)


name: 5-[[4-(dimethylamino)phenyl]methylene]-1-methylbarbituric acid
cas: 94159-46-3
formula: C14H15N3O3
inchikey: GFUZHTMFTUBOPD-UHFFFAOYSA-N
norman_susdat_id: NS00066555
pubchem_cid: 677705
smiles: O=C1NC(=O)N(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C
inchi:
InChI=1/C14H15N3O3/c1-16(2)10-6-4-9(5-7-10)8-11-12(18)15-14(20)17(3)13(11)19/h4-8H,1-3H3,(H,15,18,20)


name: (3alpha,5beta,7alpha,12beta)-3-(3-Carboxy-1-oxopropoxy)-7,12-dihydroxycholan-24-oic acid
cas: 94159-47-4
chemspiderid: 21166993
dtxsid: DTXSID70240875
formula: C28H44O8
inchikey: HCNXRYWFDFDKOR-LVLJDNOQSA-N
norman_susdat_id: NS00040193
pubchem_cid: 44150293
inchi:
InChI=1S/C28H44O8/c1-15(4-7-23(31)32)18-5-6-19-26-20(14-22(30)28(18,19)3)27(2)11-10-17(12-16(27)13-21(26)29)36-25(35)9-8-24(33)34/h15-22,26,29-30H,4-14H2,1-3H3,(H,31,32)(H,33,34)/t15-,16?,17-,18-,19+,20+,21-,22-,26+,27+,28-/m1/s1

smiles:
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C)OC(=O)CCC(O)=O


name: Ethylhexadecyldimethylammonium 4-octylphenolate
cas: 94159-48-5
formula: C20H44N.C14H21O
inchikey: SMKARVCTVFJWGT-UHFFFAOYSA-M
norman_susdat_id: NS00093050
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCCCCCCCc1ccc([O-])cc1
inchi:
InChI=1/C20H44N.C14H22O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h5-20H2,1-4H3;9-12,15H,2-8H2,1H3/q+1;/p-1


name: Disodium 6-amino-5-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 94159-49-6
dtxsid: DTXSID70916240
formula: C17H14ClN3O7S2
inchikey: NFIIQFKPWXHXDI-UHFFFAOYSA-L
norman_susdat_id: NS00065591
pubchem_cid: 100988
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC(=C(Cl)C=C3S(=O)(=O)[O-])C)=C1
inchi:
InChI=1/C17H14ClN3O7S2.2Na/c1-8-4-13(15(7-11(8)18)30(26,27)28)20-21-17-12(19)3-2-9-5-10(29(23,24)25)6-14(22)16(9)17;;/h2-7,22H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


cas: 94159-50-9
formula: C40H40N10O11S3
inchikey: PBUMHIAOLPCTKW-UHFFFAOYSA-K
norman_susdat_id: NS00066043
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[4-[[2-[[2-(diethylamino)ethyl]amino]-4-hydroxyphenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-32-23-29(51)15-17-30(32)47-44-27-12-10-25(11-13-27)43-31-16-14-28(22-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-43,51-52H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/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(O)C=C5NCCN(CC)CC)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 94159-51-0
formula: C40H40N10O11S3
inchikey: PJWATHPLRKHAFL-UHFFFAOYSA-K
norman_susdat_id: NS00065592
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[4-[[4-[[2-(diethylamino)ethyl]amino]-2-hydroxyphenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H40N10O11S3.3Na/c1-3-50(4-2)19-18-42-28-14-16-30(32(51)22-28)47-44-27-12-10-25(11-13-27)43-31-17-15-29(23-33(31)62(53,54)55)46-48-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)41)49-45-26-8-6-5-7-9-26;;;/h5-17,20-23,42-43,51-52H,3-4,18-19,41H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/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(C=C5O)NCCN(CC)CC)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 94159-52-1
formula: C40H41N11O10S3
inchikey: RZFNZMZCBYUAEG-UHFFFAOYSA-K
norman_susdat_id: NS00065593
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[4-[[2-amino-4-[[2-(diethylamino)ethyl]amino]phenyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H41N11O10S3.3Na/c1-3-51(4-2)19-18-43-28-14-16-31(30(41)22-28)48-45-27-12-10-25(11-13-27)44-32-17-15-29(23-33(32)62(53,54)55)47-49-38-34(63(56,57)58)20-24-21-35(64(59,60)61)39(40(52)36(24)37(38)42)50-46-26-8-6-5-7-9-26;;;/h5-17,20-23,43-44,52H,3-4,18-19,41-42H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/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(C=C5N)NCCN(CC)CC)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 94159-53-2
formula: C37H32N8O9S2
inchikey: ZUHXKNDYAQOEOH-UHFFFAOYSA-L
norman_susdat_id: NS00065594
pubchem_cid: NA
name:
Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C37H32N8O9S2.2Na/c1-19-14-21(4-11-28(19)41-43-30-13-8-25(46)18-27(30)38)22-5-12-29(20(2)15-22)42-44-35-31(55(48,49)50)16-23-17-32(56(51,52)53)36(37(47)33(23)34(35)39)45-40-24-6-9-26(54-3)10-7-24;;/h4-18,46-47H,38-39H2,1-3H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3C)C=4C=CC(N=NC5=CC=C(O)C=C5N)=C(C4)C)C(N)=C2C(O)=C1N=NC6=CC=C(OC)C=C6)S(=O)(=O)[O-]


name: Disodium 1-(4-amino-2-sulphonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate
cas: 94159-56-5
formula: C10H9N3O6S.2Na
inchikey: VCXXGDQXGMEADB-UHFFFAOYSA-L
norman_susdat_id: NS00093051
smiles: [Na+].[Na+].Nc1ccc(N2N=C(CC2=O)C(=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H9N3O6S.2Na/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16;;/h1-3H,4,11H2,(H,15,16)(H,17,18,19);;/q;2*+1/p-2


name: Sodium 5-[(4-hydroxyphenyl)amino]-8-(phenylamino)naphthalenesulphonate
cas: 94159-57-6
formula: C22H18N2O4S.Na
inchikey: KJGBIIADJHXYGZ-UHFFFAOYSA-M
norman_susdat_id: NS00092746
smiles: [Na+].Oc1ccc(Nc2ccc(Nc3ccccc3)c4c(cccc24)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C22H18N2O4S.Na/c25-17-11-9-16(10-12-17)23-19-13-14-20(24-15-5-2-1-3-6-15)22-18(19)7-4-8-21(22)29(26,27)28;/h1-14,23-25H,(H,26,27,28);/q;+1/p-1


cas: 94159-58-7
formula: C20H22N6O7S
inchikey: QLRPZDUQWSZBDX-UHFFFAOYSA-N
norman_susdat_id: NS00066044
pubchem_cid: 3023854
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C(N=NC=3C=C(OC)C(=CC3OC)S(=O)(=O)NC)C(=O)C
name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]-3-oxobutyramide

inchi:
InChI=1/C20H22N6O7S/c1-10(27)18(19(28)22-11-5-6-12-13(7-11)24-20(29)23-12)26-25-14-8-16(33-4)17(9-15(14)32-3)34(30,31)21-2/h5-9,18,21H,1-4H3,(H,22,28)(H2,23,24,29)


cas: 94159-59-8
formula: C22H26N6O7S
inchikey: YGFNHPQFXUXIFB-UHFFFAOYSA-N
norman_susdat_id: NS00066045
pubchem_cid: 3023855
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C(N=NC=3C=C(OC)C(=CC3OC)S(=O)(=O)NC(C)C)C(=O)C
name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[[4-[[isopropylamino]sulphonyl]-2,5-dimethoxyphenyl]azo]-3-oxobutyramide

inchi:
InChI=1/C22H26N6O7S/c1-11(2)28-36(32,33)19-10-17(34-4)16(9-18(19)35-5)26-27-20(12(3)29)21(30)23-13-6-7-14-15(8-13)25-22(31)24-14/h6-11,20,28H,1-5H3,(H,23,30)(H2,24,25,31)


cas: 94159-60-1
formula: C39H29N9O12S3
inchikey: JARNFPAGYWISTC-UHFFFAOYSA-K
norman_susdat_id: NS00065603
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C39H29N9O12S3.3Na/c40-23-9-6-21-16-30(62(55,56)57)35(37(49)28(21)19-23)47-45-27-14-12-24(13-15-27)42-39(51)20-7-10-26(11-8-20)44-46-34-29(61(52,53)54)17-22-18-31(63(58,59)60)36(38(50)32(22)33(34)41)48-43-25-4-2-1-3-5-25;;;/h1-19,49-50H,40-41H2,(H,42,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=C(N)C=CC3=CC2S(=O)(=O)[O-])C=C1)C4=CC=C(N=NC=5C(N)=C6C(O)=C(N=NC=7C=CC=CC7)C(=CC6=CC5S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4


name: [(o-nonylphenoxy)methyl]oxirane
cas: 94159-62-3
dtxsid: DTXSID00916238
formula: C18H28O2
inchikey: WNISWKAEAPQCJQ-UHFFFAOYSA-N
norman_susdat_id: NS00065604
pubchem_cid: 5744287
smiles: O(C=1C=CC=CC1CCCCCCCCC)CC2OC2
inchi:
InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h9-10,12-13,17H,2-8,11,14-15H2,1H3


name: Ethoxypropoxymagnesium
cas: 94159-65-6
formula: C5H12MgO2
inchikey: CCLBJCVPJCHEQD-UHFFFAOYSA-N
norman_susdat_id: NS00093326
smiles: CCCO[Mg]OCC
inchi:
InChI=1/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2/rC5H12MgO2/c1-3-5-8-6-7-4-2/h3-5H2,1-2H3


name: Ammonium isopropylammonium 1-[1-methyl-2-(oleoylamino)ethyl] sulphonatosuccinate
cas: 94159-68-9
formula: C25H45NO8S.C3H9N.H3N
inchikey: JPZAHCNEFAGBBS-PQBRBDCOSA-N
norman_susdat_id: NS00092786
smiles: [NH4+].CCCCCCCC\C=C/CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+]
inchi:
InChI=1/C25H45NO8S.C3H9N.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;1-3(2)4;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);3H,4H2,1-2H3;1H3


name: Potassium 3-sulphonatopropyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
cas: 94159-70-3
chemspiderid: 2289923
dtxsid: DTXSID00240883
formula: C20H32O6S1
inchikey: NWVSKTMYVSTIIO-UHFFFAOYSA-M
norman_susdat_id: NS00040194
pubchem_cid: 101592836
smiles: [K+].CC(C)(C)C1=CC(CCC(=O)OCCCS([O-])(=O)=O)=CC(=C1O)C(C)(C)C
inchi:
InChI=1S/C20H32O6S/c1-19(2,3)15-12-14(13-16(18(15)22)20(4,5)6)8-9-17(21)26-10-7-11-27(23,24)25/h12-13,22H,7-11H2,1-6H3,(H,23,24,25)


name: Ammonium 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)azo]benzenesulphonate
cas: 94159-74-7
formula: C12H11N5O6S.H3N
inchikey: FIUJPXQKUDIKOG-UHFFFAOYSA-N
norman_susdat_id: NS00093327
smiles: [NH4+].Oc2ccc(cc2N=Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O
inchi:
InChI=1/C12H11N5O6S.H3N/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,18H,13-14H2,(H,21,22,23);1H3


name: 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol
cas: 94159-75-8
chemspiderid: 21167008
dtxsid: DTXSID20240885
formula: C38H78O13
inchikey: CAYQUDJGOSZBKU-UHFFFAOYSA-N
norman_susdat_id: NS00040195
pubchem_cid: 14973993
smiles: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C38H78O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-40-17-19-42-21-23-44-25-27-46-29-31-48-33-35-50-37-38-51-36-34-49-32-30-47-28-26-45-24-22-43-20-18-41-16-14-39/h39H,2-38H2,1H3


name: Bis(2-hydroxyethyl)methyl(1-(perfluoro-11-methyldodecyl))-2-hydroxyprop-3-ylammonium iodide
cas: 94159-76-9
chemspiderid: 2289925
dtxsid: DTXSID50881144
formula: C21H19F27N1O3
inchikey: QQRRNNJXDYEDNO-UHFFFAOYSA-M
norman_susdat_id: NS00019342
pubchem_cid: 21149800
inchi:
InChI=1S/C21H19F27NO3/c1-49(2-4-50,3-5-51)7-8(52)6-9(22,23)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)18(39,40)16(35,36)14(31,32)12(27,28)10(24,20(43,44)45)21(46,47)48/h8,50-52H,2-7H2,1H3/q+1

smiles:
[I-].C[N+](CCO)(CCO)CC(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


name: Bis(2-hydroxyethyl)methyl(1-(perfluoro-9-methyldecyl))-2-hydroxyprop-3-ylammonium iodide
cas: 94159-77-0
chemspiderid: 2289927
dtxsid: DTXSID90881148
formula: C19H19F23N1O3
inchikey: ACIXJWKFKMGNIK-UHFFFAOYSA-M
norman_susdat_id: NS00019343
pubchem_cid: 21149802
inchi:
InChI=1S/C19H19F23NO3/c1-43(2-4-44,3-5-45)7-8(46)6-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,44-46H,2-7H2,1H3/q+1

smiles:
[I-].C[N+](CCO)(CCO)CC(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


name: Bis(2-hydroxyethyl)methyl(1(-perfluoro-7-methyloctyl))-2-hydroxyprop-3-ylammonium iodide
cas: 94159-78-1
chemspiderid: 2289929
dtxsid: DTXSID50881149
formula: C17H19F19N1O3
inchikey: NYBKVKNKHROYAF-UHFFFAOYSA-M
norman_susdat_id: NS00019344
pubchem_cid: 21149804
smiles: [I-].C[N+](CCO)(CCO)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C17H19F19NO3/c1-37(2-4-38,3-5-39)7-8(40)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,38-40H,2-7H2,1H3/q+1


name: 1-((3-(Dimethylamino)propyl)amino)-(3-(perfluorododecyl))propan-2-ol
cas: 94159-79-2
chemspiderid: 2289931
dtxsid: DTXSID60881150
formula: C20H19F25N2O1
inchikey: TXTCMAJARJFSCQ-UHFFFAOYSA-N
norman_susdat_id: NS00010937
pubchem_cid: 3023870
inchi:
InChI=1S/C20H19F25N2O/c1-47(2)5-3-4-46-7-8(48)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8,46,48H,3-7H2,1-2H3

smiles:
C(NCCCN(C)C)C(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


name: 1-((3-(Dimethylamino)propyl)amino)-(3-(perfluorodecyl))propan-2-ol
cas: 94159-80-5
chemspiderid: 2289932
dtxsid: DTXSID20881151
formula: C18H19F21N2O1
inchikey: FYKFVLMDMBLILP-UHFFFAOYSA-N
norman_susdat_id: NS00010934
pubchem_cid: 3023871
smiles: C(NCCCN(C)C)C(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
inchi:
InChI=1S/C18H19F21N2O/c1-41(2)5-3-4-40-7-8(42)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,40,42H,3-7H2,1-2H3


name: 1-((3-(Dimethylamino)propyl)amino)-(3-(perfluorooctyl))propan-2-ol
cas: 94159-81-6
chemspiderid: 2289933
dtxsid: DTXSID80881152
formula: C16H19F17N2O1
inchikey: PPEQDXFGRTWOEV-UHFFFAOYSA-N
norman_susdat_id: NS00019345
pubchem_cid: 3023872
smiles: CN(C)CCCNCC(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=1S/C16H19F17N2O/c1-35(2)5-3-4-34-7-8(36)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,34,36H,3-7H2,1-2H3


name: 1-((3-(Dimethylamino)propyl)amino)-(3-(perfluoro-11-methyldodecyl))propan-2-ol
cas: 94159-82-7
chemspiderid: 2289934
dtxsid: DTXSID00881154
formula: C21H19F27N2O1
inchikey: CPUGKTXAIBCJQS-UHFFFAOYSA-N
norman_susdat_id: NS00010938
pubchem_cid: 3023873
inchi:
InChI=1S/C21H19F27N2O/c1-50(2)5-3-4-49-7-8(51)6-9(22,23)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)18(39,40)16(35,36)14(31,32)12(27,28)10(24,20(43,44)45)21(46,47)48/h8,49,51H,3-7H2,1-2H3

smiles:
C(NCCCN(C)C)C(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


name: 1-((3-(Dimethylamino)propyl)amino)-(3-(perfluoro-9-methyldecyl))propanol
cas: 94159-83-8
chemspiderid: 2289935
dtxsid: DTXSID20881156
formula: C19H19F23N2O1
inchikey: IBEWQQXACSADKT-UHFFFAOYSA-N
norman_susdat_id: NS00010935
pubchem_cid: 3023874
smiles: C(N(C)C)CCNC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C19H19F23N2O/c1-44(2)7-3-6-43-8(45)4-5-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,43,45H,3-7H2,1-2H3


name: 1-(Perfluorofluorooctyl)propane-2,3-diol
cas: 94159-84-9
chemspiderid: 2056724
dtxsid: DTXSID80881157
formula: C11H7F17O2
inchikey: CGRIOEGIXRPCJU-UHFFFAOYSA-N
norman_susdat_id: NS00019346
pubchem_cid: 2776406
smiles: OCC(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=1S/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2


name: alpha-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)aziridine-1-ethanol
cas: 94159-85-0
chemspiderid: 10144696
dtxsid: DTXSID40881158
formula: C13H10F17N1O1
inchikey: SONGXJCUEWDGMO-UHFFFAOYSA-N
norman_susdat_id: NS00019347
pubchem_cid: 11971315
smiles: OC(CN1CC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H10F17NO/c14-6(15,3-5(32)4-31-1-2-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h5,32H,1-4H2


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-(vinyloxy)undecan-2-ol
cas: 94159-86-1
chemspiderid: 2289936
dtxsid: DTXSID00881159
formula: C13H9F17O2
inchikey: XLLVATUSJHKQQF-UHFFFAOYSA-N
norman_susdat_id: NS00019348
pubchem_cid: 3023875
smiles: OC(COC=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H9F17O2/c1-2-32-4-5(31)3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2,5,31H,1,3-4H2


name: Potassium N-((perfluorooctyl)-2-hydroxypropyl)-N-methylglycinate
cas: 94159-87-2
chemspiderid: 21167009
dtxsid: DTXSID70881161
formula: C14H12F17N1O3
inchikey: ZKOCMECLPOODCE-UHFFFAOYSA-M
norman_susdat_id: NS00019349
pubchem_cid: 44146146
smiles: [K+].CN(CC(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)CC([O-])=O
inchi:
InChI=1S/C14H12F17NO3/c1-32(4-6(34)35)3-5(33)2-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5,33H,2-4H2,1H3,(H,34,35)


name: 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
cas: 94159-88-3
chemspiderid: 10144697
dtxsid: DTXSID30881162
formula: C14H11F17O2
inchikey: UCXJEPZAXJRBAT-UHFFFAOYSA-N
norman_susdat_id: NS00019350
pubchem_cid: 11971316
smiles: CC1(C)OCC(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)O1
inchi:
InChI=1S/C14H11F17O2/c1-6(2)32-4-5(33-6)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,3-4H2,1-2H3


name: Potassium N-((perfluoro-7-methyloctyl)-2-hydroxypropyl)-N-methylaminoacetate
cas: 94159-89-4
chemspiderid: NA
dtxsid: DTXSID90881163
formula: C15H12F19N1O3
inchikey: MKLVTMHFPWJJQW-YFKPBYRVSA-N
norman_susdat_id: NS00011393
pubchem_cid: NA
smiles: [K+].CN(CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CC([O-])=O
inchi:
InChI=1S/C15H12F19NO3.K/c1-35(4-6(37)38)3-5(36)2-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34;/h5,36H,2-4H2,1H3,(H,37,38);/q;+1/p-1


name: 4-((Perfluoro-7-methyloctyl)methyl)-2,2-dimethyl-1,3-dioxolane
cas: 94159-90-7
chemspiderid: 10144698
dtxsid: DTXSID50881164
formula: C15H11F19O2
inchikey: JUINJVGRXCBZQR-UHFFFAOYSA-N
norman_susdat_id: NS00011211
pubchem_cid: 11971317
smiles: C(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)C1OC(OC1)(C)C
inchi:
InChI=1S/C15H11F19O2/c1-6(2)35-4-5(36-6)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h5H,3-4H2,1-2H3


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-phenoxyundecan-2-ol
cas: 94159-91-8
chemspiderid: 2289937
dtxsid: DTXSID10881165
formula: C17H11F17O2
inchikey: LXBFURBCWJWTTM-UHFFFAOYSA-N
norman_susdat_id: NS00019351
pubchem_cid: 3023876
smiles: OC(COC1=CC=CC=C1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H11F17O2/c18-10(19,6-8(35)7-36-9-4-2-1-3-5-9)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5,8,35H,6-7H2


name: 1-Phenoxy(3-(perfluoro-7-methyloctyl)propan-2-ol)
cas: 94159-92-9
chemspiderid: 2289938
dtxsid: DTXSID70881166
formula: C18H11F19O2
inchikey: BVQDBQFRYDVCDL-UHFFFAOYSA-N
norman_susdat_id: NS00010924
pubchem_cid: 3023877
smiles: C1=C(OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C=CC=C1
inchi:
InChI=1S/C18H11F19O2/c19-10(20,6-8(38)7-39-9-4-2-1-3-5-9)12(22,23)14(26,27)16(30,31)15(28,29)13(24,25)11(21,17(32,33)34)18(35,36)37/h1-5,8,38H,6-7H2


name: 8-amino-1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphthol
cas: 94159-94-1
formula: C16H12ClN3O2
inchikey: MODDSRRCELJUHE-UHFFFAOYSA-N
norman_susdat_id: NS00065584
pubchem_cid: 3023878
smiles: ClC1=CC=C(O)C(N=NC2=C(O)C=CC=3C=CC=C(N)C32)=C1
inchi:
InChI=1/C16H12ClN3O2/c17-10-5-7-13(21)12(8-10)19-20-16-14(22)6-4-9-2-1-3-11(18)15(9)16/h1-8,21-22H,18H2


name: Sodium 3-[(8-amino-2-hydroxy-1-naphthyl)azo]-5-chloro-2-hydroxybenzenesulphonate
cas: 94159-95-2
formula: C16H12ClN3O5S
inchikey: YVVUVABCSJJVEP-UHFFFAOYSA-M
norman_susdat_id: NS00066565
pubchem_cid: 3023880
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C=C(N=NC2=C(O)C=CC=3C=CC=C(N)C32)C1O
inchi:
InChI=1/C16H12ClN3O5S.Na/c17-9-6-11(16(22)13(7-9)26(23,24)25)19-20-15-12(21)5-4-8-2-1-3-10(18)14(8)15;/h1-7,21-22H,18H2,(H,23,24,25);/q;+1/p-1


name: 2,2'-[1-(2-octadecenyl)ethane-1,2-diyl]bis-2-oxazoline-4,4-dimethanol
cas: 94159-96-3
formula: C30H54N2O6
inchikey: OZDQSQOKLPXYHF-UHFFFAOYSA-N
norman_susdat_id: NS00066566
pubchem_cid: 57356615
smiles: OCC1(N=C(OC1)CC(C2=NC(CO)(CO)CO2)CC=CCCCCCCCCCCCCCCC)CO
inchi:
InChI=1/C30H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28-32-30(22-35,23-36)25-38-28)19-27-31-29(20-33,21-34)24-37-27/h16-17,26,33-36H,2-15,18-25H2,1H3


name: Bis[[2-heptadecyl-4,5-dihydro-4-[[(1-oxooctadecyl)oxy]methyl]oxazol-4-yl]methyl] adipate
cas: 94159-97-4
formula: C86H160N2O10
inchikey: GJQRJEZVPHWTFB-UHFFFAOYSA-N
norman_susdat_id: NS00066567
pubchem_cid: 3023881
inchi:
InChI=1/C86H160N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-67-79-87-85(73-93-79,75-95-81(89)69-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)77-97-83(91)71-65-66-72-84(92)98-78-86(76-96-82(90)70-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)74-94-80(88-86)68-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h5-78H2,1-4H3

smiles:
O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCC(=O)OCC2(N=C(OC2)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC


name: Bis[[2-heptadecyl-4,5-dihydro-4-[[(1-oxooctadecyl)oxy]methyl]-4-oxazolyl]methyl] oxalate
cas: 94159-98-5
formula: C82H152N2O10
inchikey: KURFMYYOHDXINF-UHFFFAOYSA-N
norman_susdat_id: NS00066085
pubchem_cid: 3023882
inchi:
InChI=1/C82H152N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-75-83-81(69-89-75,71-91-77(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-93-79(87)80(88)94-74-82(72-92-78(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)70-90-76(84-82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h5-74H2,1-4H3

smiles:
O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)C(=O)OCC2(N=C(OC2)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC


name: 4-octadecylmorpholinium acetate
cas: 94159-99-6
formula: C22H45NO.C2H4O2
inchikey: VOZXKDVYRWKRHD-UHFFFAOYSA-N
norman_susdat_id: NS00093329
smiles: CCCCCCCCCCCCCCCCCC[NH+]1CCOCC1.CC(=O)[O-]
inchi:
InChI=1/C22H45NO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;1-2(3)4/h2-22H2,1H3;1H3,(H,3,4)


cas: 94160-05-1
formula: C44H35N13O11S3.3C6H15NO
inchikey: HINNBJRGYVLAAP-UHFFFAOYSA-N
norman_susdat_id: NS00092768
name:
2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, compd. with 2-(diethylamino)ethanol (1:3)

inchi:
InChI=1/C44H35N13O11S3.3C6H15NO/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;3*1-3-7(4-2)5-6-8/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);3*8H,3-6H2,1-2H3

smiles:
CCN(CC)CCO.CCN(CC)CCO.CCN(CC)CCO.OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O


name: 4-dodecyl-3-sulphonatobenzenediazonium
cas: 94160-09-5
dtxsid: DTXSID70240890
formula: C18H29N2O3S
inchikey: UVAVRRTWWLTJOO-UHFFFAOYSA-N
norman_susdat_id: NS00065585
pubchem_cid: 3023885
smiles: N#[N+]C1=CC=C(C(=C1)S(=O)(=O)[O-])CCCCCCCCCCCC
inchi:
InChI=1/C18H28N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(20-19)15-18(16)24(21,22)23/h13-15H,2-12H2,1H3


name: 2-heptadecyl-4,5-dihydro-1H-imidazol-1-ethanol monohydrochloride
cas: 94160-10-8
formula: C22H44N2O.ClH
inchikey: LBEJEZHDEBDLKZ-UHFFFAOYSA-N
norman_susdat_id: NS00092804
smiles: Cl.CCCCCCCCCCCCCCCCCC1=NCCN1CCO
inchi:
InChI=1/C22H44N2O.ClH/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;1H


name: Lactic acid, compound with 2-heptadecyl-4,5-dihydro-1H-imidazol-1-ethanol (1:1)
cas: 94160-11-9
formula: C22H44N2O.C3H6O3
inchikey: SMWCYGVKINXXML-UHFFFAOYSA-N
norman_susdat_id: NS00093067
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCO.CC(O)C(=O)O
inchi:
InChI=1/C22H44N2O.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(4)3(5)6/h25H,2-21H2,1H3;2,4H,1H3,(H,5,6)


name: Decamethylene dibenzoate
cas: 94160-13-1
chemspiderid: NA
dtxsid: DTXSID90240892
formula: C24H30O4
inchikey: JRQMQZLDGAFURO-UHFFFAOYSA-N
norman_susdat_id: NS00040197
pubchem_cid: 44147903
smiles: O=C(OCCCCCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C24H30O4/c25-23(21-15-9-7-10-16-21)27-19-13-5-3-1-2-4-6-14-20-28-24(26)22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2


name: 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl phosphate(3:1)
cas: 94160-14-2
dtxsid: DTXSID50240893
formula: C54H111O13P
inchikey: YTJJNMBLBMRQOD-UHFFFAOYSA-N
norman_susdat_id: NS00065629
pubchem_cid: 17938221
smiles: O=P(OCCOCCOCCOCCCCCCCCCCCC)(OCCOCCOCCOCCCCCCCCCCCC)OCCOCCOCCOCCCCCCCCCCCC
inchi:
InChI=1/C54H111O13P/c1-4-7-10-13-16-19-22-25-28-31-34-56-37-40-59-43-46-62-49-52-65-68(55,66-53-50-63-47-44-60-41-38-57-35-32-29-26-23-20-17-14-11-8-5-2)67-54-51-64-48-45-61-42-39-58-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3


name: 1-(2-Chloroethoxy)-4-dodecylbenzene
cas: 94160-15-3
chemspiderid: 2289945
dtxsid: DTXSID10240894
formula: C20H33Cl1O1
inchikey: KFPRSDHSMFRDKN-UHFFFAOYSA-N
norman_susdat_id: NS00040198
pubchem_cid: 3023888
smiles: CCCCCCCCCCCCc1ccc(OCCCl)cc1
inchi:
InChI=1S/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-18-17-21/h13-16H,2-12,17-18H2,1H3


cas: 94160-19-7
formula: C22H16O9S
inchikey: MAODNCNYVBINCP-UHFFFAOYSA-K
norman_susdat_id: NS00066088
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=C([O-])C1=CC(C=C(C1=O)C)=C(C2=CC=C(O)C(=C2)C(=O)[O-])C=3C=CC=CC3S(=O)(=O)[O-]
name:
Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-sulphonatophenyl)methyl]salicylate

inchi:
InChI=1/C22H16O9S.3Na/c1-11-8-13(10-16(20(11)24)22(27)28)19(12-6-7-17(23)15(9-12)21(25)26)14-4-2-3-5-18(14)32(29,30)31;;;/h2-10,23H,1H3,(H,25,26)(H,27,28)(H,29,30,31);;;/q;3*+1/p-3


name: Dodecyl[2-(2-hydroxyethoxy)ethyl]dimethylammonium chloride
cas: 94160-20-0
dtxsid: DTXSID10916229
formula: C18H40NO2
inchikey: CYYKRMDOOUQCAN-UHFFFAOYSA-M
norman_susdat_id: NS00066089
pubchem_cid: 3023889
smiles: [Cl-].OCCOCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C18H40NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)15-17-21-18-16-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1


name: Bis(2-hydroxypropyl)methyloctadecylammonium bromide
cas: 94160-21-1
dtxsid: DTXSID50916228
formula: C25H54NO2
inchikey: KMUHMZLSPVOJTD-UHFFFAOYSA-M
norman_susdat_id: NS00065600
pubchem_cid: 21149806
smiles: [Br-].OC(C)C[N+](C)(CCCCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C25H54NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4,22-24(2)27)23-25(3)28;/h24-25,27-28H,5-23H2,1-4H3;1H/q+1;/p-1


name: 4-methyl-4-[3-[(1-oxooctadecyl)amino]propyl]morpholinium chloride
cas: 94160-22-2
dtxsid: DTXSID90916227
formula: C26H53N2O2
inchikey: RLADJYGFPZJJEG-UHFFFAOYSA-N
norman_susdat_id: NS00065601
pubchem_cid: 3023894
smiles: [Cl-].O=C(NCCC[N+]1(C)CCOCC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26(29)27-20-18-21-28(2)22-24-30-25-23-28;/h3-25H2,1-2H3;1H


name: Diethylmethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 94160-23-3
dtxsid: DTXSID30916226
formula: C26H55N2O
inchikey: AUSNCNLXNKNARV-UHFFFAOYSA-N
norman_susdat_id: NS00065650
pubchem_cid: 21149809
smiles: [Cl-].O=C(NCCC[N+](C)(CC)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H54N2O.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-24-22-25-28(4,6-2)7-3;/h5-25H2,1-4H3;1H


name: Dipentadecyl phosphonate
cas: 94160-24-4
dtxsid: DTXSID70916225
formula: C30H63O3P
inchikey: UEXRXCIBNQSYJL-UHFFFAOYSA-N
norman_susdat_id: NS00066576
pubchem_cid: 101592846
smiles: O=P(OCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-34(31)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-30H2,1-2H3


cas: 94160-29-9
dtxsid: DTXSID50916223
formula: C33H60O15
inchikey: WSUPYPPXRYUABR-UHFFFAOYSA-N
norman_susdat_id: NS00066151
pubchem_cid: 53423999
smiles: O=C(OC(C)COCC(OCC(O)C)COCC(OC(=O)CCCCC(=O)OC(C)COCC(OCC(O)C)COCC(O)C)C)C=C
name:
2-[2,3-bis(2-hydroxypropoxy)propoxy]isopropyl 2-[2-(2-hydroxypropoxy)-3-[2-[(1-oxoallyl)oxy]propoxy]propoxy]isopropyl adipate

inchi:
InChI=1/C33H60O15/c1-8-31(37)46-26(5)16-41-21-30(45-15-25(4)36)22-43-18-28(7)48-33(39)12-10-9-11-32(38)47-27(6)17-42-20-29(44-14-24(3)35)19-40-13-23(2)34/h8,23-30,34-36H,1,9-22H2,2-7H3


name: Bis[2-[2-(2-hydroxypropoxy)-3-[2-[(1-oxoallyl)oxy]propoxy]propoxy]isopropyl] adipate
cas: 94160-30-2
formula: C36H62O16
inchikey: RGMLHWJRULZURJ-UHFFFAOYSA-N
norman_susdat_id: NS00066152
pubchem_cid: 56841285
smiles: O=C(OC(C)COCC(OCC(O)C)COCC(OC(=O)CCCCC(=O)OC(C)COCC(OCC(O)C)COCC(OC(=O)C=C)C)C)C=C
inchi:
InChI=1/C36H62O16/c1-9-33(39)49-27(5)17-43-21-31(47-15-25(3)37)23-45-19-29(7)51-35(41)13-11-12-14-36(42)52-30(8)20-46-24-32(48-16-26(4)38)22-44-18-28(6)50-34(40)10-2/h9-10,25-32,37-38H,1-2,11-24H2,3-8H3


name: 2-[2,3-bis(2-hydroxypropoxy)propoxy]-1-methylethyl acrylate
cas: 94160-31-3
dtxsid: DTXSID90916222
formula: C15H28O7
inchikey: MNJSNFFITSYDEC-UHFFFAOYSA-N
norman_susdat_id: NS00066248
pubchem_cid: 16206038
smiles: O=C(OC(C)COCC(OCC(O)C)COCC(O)C)C=C
inchi:
InChI=1/C15H28O7/c1-5-15(18)22-13(4)8-20-10-14(21-7-12(3)17)9-19-6-11(2)16/h5,11-14,16-17H,1,6-10H2,2-4H3


cas: 94160-32-4
dtxsid: DTXSID30916221
formula: C24H38O10
inchikey: PWFXFAXUOCRECU-UHFFFAOYSA-N
norman_susdat_id: NS00066714
pubchem_cid: 44148663
smiles: O=C(OC(C)COCC(OCC(OC(=O)C=C)C)COCC(OCC(OC(=O)C=C)C)C)C=C
name:
1,4,12-trimethyl-14-oxo-8-[2-[(1-oxoallyl)oxy]propoxy]-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate

inchi:
InChI=1/C24H38O10/c1-8-22(25)32-18(5)12-29-16-21(31-14-20(7)34-24(27)10-3)15-28-11-17(4)30-13-19(6)33-23(26)9-2/h8-10,17-21H,1-3,11-16H2,4-7H3


name: 8-(2-hydroxypropoxy)-1,4,12-trimethyl-14-oxo-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate
cas: 94160-33-5
dtxsid: DTXSID70916220
formula: C21H36O9
inchikey: PGVXYNCLNDQXPL-UHFFFAOYSA-N
norman_susdat_id: NS00066153
pubchem_cid: 44152441
smiles: O=C(OC(C)COCC(OCC(O)C)COCC(OCC(OC(=O)C=C)C)C)C=C
inchi:
InChI=1/C21H36O9/c1-7-20(23)29-17(5)11-26-14-19(28-9-15(3)22)13-25-10-16(4)27-12-18(6)30-21(24)8-2/h7-8,15-19,22H,1-2,9-14H2,3-6H3


name: 2-Butoxyethyl 4-(4-chloro-2-methylphenoxy)butyrate
cas: 94160-35-7
chemspiderid: 2289954
dtxsid: DTXSID30240896
formula: C17H25Cl1O4
inchikey: JTOPPOKWSSPXIO-UHFFFAOYSA-N
norman_susdat_id: NS00040199
pubchem_cid: 3023901
smiles: CCCCOCCOC(=O)CCCOc1c(C)cc(Cl)cc1
inchi:
InChI=1S/C17H25ClO4/c1-3-4-9-20-11-12-22-17(19)6-5-10-21-16-8-7-15(18)13-14(16)2/h7-8,13H,3-6,9-12H2,1-2H3


cas: 94160-37-9
dtxsid: DTXSID50240898
formula: C31H31FN6O5
inchikey: QHZWNQUCVXXIES-UHFFFAOYSA-N
norman_susdat_id: NS00066154
pubchem_cid: 16206040
smiles: O=C1C2=C(O)C=C(C=3C=CC(OC4=NC(F)=NC(=N4)N(CCCC)CCCC)=CC3)C(N)=C2C(=O)C=5C(O)=CC=C(N)C15
name:
1,5-diamino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]-4,8-dihydroxyanthraquinone

inchi:
InChI=1/C31H31FN6O5/c1-3-5-13-38(14-6-4-2)30-35-29(32)36-31(37-30)43-17-9-7-16(8-10-17)18-15-21(40)24-25(26(18)34)28(42)23-20(39)12-11-19(33)22(23)27(24)41/h7-12,15,39-40H,3-6,13-14,33-34H2,1-2H3


cas: 94160-38-0
dtxsid: DTXSID10240899
formula: C33H36FN11OS
inchikey: VJGMBVBSKSYWOW-UHFFFAOYSA-N
norman_susdat_id: NS00066155
pubchem_cid: 11971320
smiles: N#CC=1C=C(N=NC=2C=CC=CC2)SC1N=NC3=CC=C(C=C3)N(CCC#N)CCOC4=NC(F)=NC(=N4)N(CCCC)CCCC
name:
2-[[4-[(2-cyanoethyl)[2-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]ethyl]amino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile

inchi:
InChI=1/C33H36FN11OS/c1-3-5-18-45(19-6-4-2)32-37-31(34)38-33(39-32)46-22-21-44(20-10-17-35)28-15-13-27(14-16-28)41-43-30-25(24-36)23-29(47-30)42-40-26-11-8-7-9-12-26/h7-9,11-16,23H,3-6,10,18-22H2,1-2H3


name: 1-[[3-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenyl]amino]-4-hydroxyanthraquinone
cas: 94160-39-1
dtxsid: DTXSID60240900
formula: C31H30FN5O4
inchikey: YVHQDKQDYITEFY-UHFFFAOYSA-N
norman_susdat_id: NS00066249
pubchem_cid: 16206041
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC=4C=CC=C(OC5=NC(F)=NC(=N5)N(CCCC)CCCC)C4
inchi:
InChI=1/C31H30FN5O4/c1-3-5-16-37(17-6-4-2)30-34-29(32)35-31(36-30)41-20-11-9-10-19(18-20)33-23-14-15-24(38)26-25(23)27(39)21-12-7-8-13-22(21)28(26)40/h7-15,18,33,38H,3-6,16-17H2,1-2H3


cas: 94160-40-4
formula: C40H38N8O10
inchikey: CUDCWCHGCZJVJQ-UHFFFAOYSA-L
norman_susdat_id: NS00066156
pubchem_cid: 136270257
name:
Disodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxoethylene]azo]]bis[5-acetamidobenzoate]

inchi:
InChI=1/C40H38N8O10.2Na/c1-19-15-25(7-11-31(19)43-35(21(3)49)37(53)47-45-33-13-9-27(41-23(5)51)17-29(33)39(55)56)26-8-12-32(20(2)16-26)44-36(22(4)50)38(54)48-46-34-14-10-28(42-24(6)52)18-30(34)40(57)58;;/h7-18,43-44,49-50H,1-6H3,(H,41,51)(H,42,52)(H,55,56)(H,57,58);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC(=O)C(NC2=CC=C(C=C2C)C=3C=CC(NC(C(=O)N=NC4=CC=C(C=C4C(=O)[O-])NC(=O)C)=C(O)C)=C(C3)C)=C(O)C)NC(=O)C


cas: 94160-41-5
formula: C50H44N10O16S2
inchikey: ACCVLZNQUNDOGM-UHFFFAOYSA-N
norman_susdat_id: NS00066477
pubchem_cid: NA
name:
2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphophenyl)amino]carbonyl]amino]benzoic] acid

inchi:
InChI=1/C50H44N10O16S2/c1-25-21-29(5-17-39(25)55-45(63)43(27(3)61)59-57-41-19-11-33(23-37(41)47(65)66)53-49(69)51-31-7-13-35(14-8-31)77(71,72)73)30-6-18-40(26(2)22-30)56-46(64)44(28(4)62)60-58-42-20-12-34(24-38(42)48(67)68)54-50(70)52-32-9-15-36(16-10-32)78(74,75)76/h5-24,61-62H,1-4H3,(H,55,63)(H,56,64)(H,65,66)(H,67,68)(H2,51,53,69)(H2,52,54,70)(H,71,72,73)(H,74,75,76)

smiles:
O=C(O)C1=CC(=CC=C1N=NC(C(=O)NC2=CC=C(C=C2C)C=3C=CC(NC(=O)C(N=NC4=CC=C(C=C4C(=O)O)NC(=O)NC5=CC=C(C=C5)S(=O)(=O)O)=C(O)C)=C(C3)C)=C(O)C)NC(=O)NC6=CC=C(C=C6)S(=O)(=O)O


cas: 94160-42-6
formula: C50H44N10O16S2.4Na
inchikey: VCIPNUSVYSMACY-UHFFFAOYSA-J
norman_susdat_id: NS00093276
name:
Tetrasodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphonatophenyl)amino]carbonyl]amino]benzoate]

inchi:
InChI=1/C50H44N10O16S2.4Na/c1-25-21-29(5-17-39(25)55-45(63)43(27(3)61)59-57-41-19-11-33(23-37(41)47(65)66)53-49(69)51-31-7-13-35(14-8-31)77(71,72)73)30-6-18-40(26(2)22-30)56-46(64)44(28(4)62)60-58-42-20-12-34(24-38(42)48(67)68)54-50(70)52-32-9-15-36(16-10-32)78(74,75)76;;;;/h5-24,61-62H,1-4H3,(H,55,63)(H,56,64)(H,65,66)(H,67,68)(H2,51,53,69)(H2,52,54,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)NC(=O)Nc6ccc(N=NC(=C(C)O)C(=O)Nc2ccc(cc2C)c5ccc(NC(=O)C(N=Nc3ccc(cc3C([O-])=O)NC(=O)Nc4ccc(cc4)S([O-])(=O)=O)=C(C)O)c(C)c5)c(c6)C([O-])=O


name: Sodium 4-[(1,5-dihydroxy-2-naphthyl)azo]naphthalene-1-sulphonate
cas: 94160-43-7
dtxsid: DTXSID00916218
formula: C20H14N2O5S
inchikey: CIZAKYJKLFQMBS-UHFFFAOYSA-M
norman_susdat_id: NS00066275
pubchem_cid: 3023904
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=CC=3C(O)=CC=CC3C2O)C=4C=CC=CC41
inchi:
InChI=1/C20H14N2O5S.Na/c23-18-7-3-6-15-13(18)8-9-17(20(15)24)22-21-16-10-11-19(28(25,26)27)14-5-2-1-4-12(14)16;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1


name: 4-(Methyloctadecylamino)-3-nitrobenzoic acid
cas: 94160-44-8
chemspiderid: 2289956
dtxsid: DTXSID20240901
formula: C26H44N2O4
inchikey: CITOGJZWCOOZGD-UHFFFAOYSA-N
norman_susdat_id: NS00040201
pubchem_cid: 21149810
smiles: CCCCCCCCCCCCCCCCCCN(C)c1c(cc(cc1)C(=O)O)[N+](=O)[O-]
inchi:
InChI=1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)


cas: 94166-37-7
dtxsid: DTXSID60916214
formula: C36H44N6O5S2
inchikey: AWMFGYLMXSKZTP-UHFFFAOYSA-M
norman_susdat_id: NS00066180
pubchem_cid: NA
smiles: [K+].O=C1N=C(C=2C=CC(OCCCCCCCCCCCCCC)=CC2)C(SC3=NN=NN3C=4C=CC=CC4)N1C5=CC=C(C=C5)S(=O)(=O)[O-]
name:
Potassium 4-[2,5-dihydro-2-oxo-5-[(1-phenyl-1H-tetraazol-5-yl)thio]-4-[4-(tetradecyloxy)phenyl]-1H-imidazol-1-yl]benzenesulphonate

inchi:
InChI=1/C36H44N6O5S2.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-27-47-31-23-19-28(20-24-31)33-34(48-36-38-39-40-42(36)30-17-14-13-15-18-30)41(35(43)37-33)29-21-25-32(26-22-29)49(44,45)46;/h13-15,17-26,34H,2-12,16,27H2,1H3,(H,44,45,46);/q;+1/p-1


name: 2-[(1-methyl-2(1H)-quinolylidene)amino]-1-(3-sulphonatopropyl)quinolinium
cas: 94166-39-9
formula: C22H22N3O3S
inchikey: KOPNOYPGGMNVSV-UHFFFAOYSA-N
norman_susdat_id: NS00066181
pubchem_cid: 44146019
smiles: O=S(=O)([O-])CCC[N+]1=C(N=C2C=CC=3C=CC=CC3N2C)C=CC=4C=CC=CC41
inchi:
InChI=1/C22H21N3O3S/c1-24-19-9-4-2-7-17(19)11-13-21(24)23-22-14-12-18-8-3-5-10-20(18)25(22)15-6-16-29(26,27)28/h2-5,7-14H,6,15-16H2,1H3


cas: 94166-40-2
formula: C28H28N2O4S3Se
inchikey: YIXGGWUUBQQLFX-UHFFFAOYSA-N
norman_susdat_id: NS00093277
smiles: C[n+]3c4c5ccccc5ccc4sc3C=C(SC)C=C2[Se]c1cc(OC)c(C)cc1N2CCCS([O-])(=O)=O
name:
2-[3-[6-methoxy-5-methyl-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]-2-(methylthio)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium

inchi:
InChI=1/C28H28N2O4S3Se/c1-18-14-22-25(17-23(18)34-3)38-27(30(22)12-7-13-37(31,32)33)16-20(35-4)15-26-29(2)28-21-9-6-5-8-19(21)10-11-24(28)36-26/h5-6,8-11,14-17H,7,12-13H2,1-4H3


cas: 94166-41-3
formula: C27H28N2O2S2
inchikey: DLERGUBGTYVNCN-UHFFFAOYSA-N
norman_susdat_id: NS00066277
pubchem_cid: 57356628
smiles: O=C1C(SC(=S)N1C2CCCCC2)=C(C=CC=C3OC=4C=CC=5C=CC=CC5C4N3CC)C
name:
3-cyclohexyl-5-[4-(1-ethylnaphth[1,2-d]oxazol-2(1H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one

inchi:
InChI=1/C27H28N2O2S2/c1-3-28-23(31-22-17-16-19-11-7-8-14-21(19)24(22)28)15-9-10-18(2)25-26(30)29(27(32)33-25)20-12-5-4-6-13-20/h7-11,14-17,20H,3-6,12-13H2,1-2H3


cas: 94166-42-4
formula: C35H23ClN2O8
inchikey: KXFMNVQVDOVUBX-RWGHWWAASA-N
norman_susdat_id: NS00066278
pubchem_cid: 5744296
name:
5-[[4-[(2-chlorophenyl)[4-[(3,5-dicarboxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]isophthalic acid monohydrochloride

inchi:
InChI=1/C35H23ClN2O8.ClH/c36-30-4-2-1-3-29(30)31(19-5-9-25(10-6-19)37-27-15-21(32(39)40)13-22(16-27)33(41)42)20-7-11-26(12-8-20)38-28-17-23(34(43)44)14-24(18-28)35(45)46;/h1-18,37H,(H,39,40)(H,41,42)(H,43,44)(H,45,46);1H

smiles:
Cl.O=C(O)C1=CC(N=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC=4C=C(C=C(C4)C(=O)O)C(=O)O)C=5C=CC=CC5Cl)=CC(=C1)C(=O)O


cas: 94166-45-7
formula: C25H25N2O4S3
inchikey: AVDOWZPVEXHXLX-UHFFFAOYSA-N
norman_susdat_id: NS00066482
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(SC2=CC=C3C=CC=CC3=C21)C=C4SC5=CC=C(OC)C=C5N4CC
name:
2-[(3-ethyl-5-methoxy-3H-benzothiazol-2-ylidene)methyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium

inchi:
InChI=1/C25H24N2O4S3/c1-3-26-20-15-18(31-2)10-12-21(20)32-23(26)16-24-27(13-6-14-34(28,29)30)25-19-8-5-4-7-17(19)9-11-22(25)33-24/h4-5,7-12,15-16H,3,6,13-14H2,1-2H3


cas: 94166-47-9
formula: C48H63N5O10S2
inchikey: MFSXNBQUQUVXJV-UHFFFAOYSA-N
norman_susdat_id: NS00093418
name:
5-[[5-(benzoylamino)-2-[[2-[(4-ethoxy-3-sulphophenyl)hydrazono]-1-methylnonadecylidene]hydrazino]phenyl]sulphonyl]salicylic acid

inchi:
InChI=1/C48H63N5O10S2/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)

smiles:
CCOc1ccc(cc1S(O)(=O)=O)NN=C(CCCCCCCCCCCCCCCCC)C(C)=NNc3ccc(NC(=O)c2ccccc2)cc3S(=O)(=O)c4cc(C(O)=O)c(O)cc4


name: N,N''-ethylenebis[N'-[2-methyl-5-[[(octadecylamino)carbonyl]amino]phenyl]urea]
cas: 94166-50-4
formula: C56H98N8O4
inchikey: UFWQSIAUKNYULV-UHFFFAOYSA-N
norman_susdat_id: NS00066483
pubchem_cid: 44152263
smiles: O=C(NC1=CC=C(C(=C1)NC(=O)NCCNC(=O)NC2=CC(=CC=C2C)NC(=O)NCCCCCCCCCCCCCCCCCC)C)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C56H98N8O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-57-53(65)61-49-39-37-47(3)51(45-49)63-55(67)59-43-44-60-56(68)64-52-46-50(40-38-48(52)4)62-54(66)58-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-40,45-46H,5-36,41-44H2,1-4H3,(H2,57,61,65)(H2,58,62,66)(H2,59,63,67)(H2,60,64,68)


name: Nonanoic acid, compound with tributylamine (1:1)
cas: 94166-51-5
formula: C12H27N.C9H18O2
inchikey: VUKJIWMKXZSKMU-UHFFFAOYSA-N
norman_susdat_id: NS00093148
smiles: CCCCCCCCC(=O)O.CCCCN(CCCC)CCCC
inchi:
InChI=1/C12H27N.C9H18O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8-9(10)11/h4-12H2,1-3H3;2-8H2,1H3,(H,10,11)


name: 1,3-Bis(2-chloro-6-methylphenoxy)propan-2-ol
cas: 94166-53-7
chemspiderid: 272623
dtxsid: DTXSID00240909
formula: C17H18Cl2O3
inchikey: LTZUNDGTKZEXKS-UHFFFAOYSA-N
norman_susdat_id: NS00040205
pubchem_cid: 308390
smiles: Cc1cccc(Cl)c1OCC(O)COc1c(Cl)cccc1C
inchi:
InChI=1S/C17H18Cl2O3/c1-11-5-3-7-14(18)16(11)21-9-13(20)10-22-17-12(2)6-4-8-15(17)19/h3-8,13,20H,9-10H2,1-2H3


name: N2-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]pyridine-2,5-diamine dihydrochloride
cas: 94166-65-1
dtxsid: DTXSID60240920
formula: C12H16N4
inchikey: XUZTVIMQPUXBGC-UHFFFAOYSA-N
norman_susdat_id: NS00066715
pubchem_cid: 5744300
smiles: Cl.Cl.N=1C=C(N)C=CC1NCC2=CC=C(N2C)C
inchi:
InChI=1/C12H16N4.2ClH/c1-9-3-5-11(16(9)2)8-15-12-6-4-10(13)7-14-12;;/h3-7H,8,13H2,1-2H3,(H,14,15);2*1H


name: Triammonium 5-aminonaphthalene-1,3,6-trisulphonate
cas: 94166-67-3
dtxsid: DTXSID20240921
formula: C10H9NO9S3
inchikey: KADOGNWIYYUFBI-UHFFFAOYSA-N
norman_susdat_id: NS00066716
pubchem_cid: 44149349
smiles: O=S(=O)([O-])C1=CC2=C(N)C(=CC=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
inchi:
InChI=1/C10H9NO9S3.3H3N/c11-10-7-3-5(21(12,13)14)4-9(23(18,19)20)6(7)1-2-8(10)22(15,16)17;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);3*1H3


name: Ammonium hydrogen 7-aminonaphthalene-1,3-disulphonate
cas: 94166-68-4
formula: C10H9NO6S2.H3N
inchikey: VLNLFXIUBGYWJL-UHFFFAOYSA-M
norman_susdat_id: NS00093114
smiles: [NH4+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.H3N/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1H3/p-1


name: Calcium naphthalene-2,7-disulphonate
cas: 94166-69-5
formula: C10H8O6S2.Ca
inchikey: GPZTVGCIEPTNIV-UHFFFAOYSA-L
norman_susdat_id: NS00093278
smiles: [Ca+2].[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Ca/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+2/p-2


name: Sodium 2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonate
cas: 94166-70-8
formula: C16H11N3O7S.Na
inchikey: RKSPVXPJJQJMPL-UHFFFAOYSA-M
norman_susdat_id: NS00093419
smiles: [Na+].Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S([O-])(=O)=O
inchi:
InChI=1/C16H11N3O7S.Na/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1


name: 4,4'-((Phenylimino)bis(methylene))bis(benzenesulphonic) acid
cas: 94166-71-9
chemspiderid: 21167041
dtxsid: DTXSID40240923
formula: C20H19N1O6S2
inchikey: LFAQPTTZBFNESY-UHFFFAOYSA-N
norman_susdat_id: NS00040213
pubchem_cid: 56841286
smiles: OS(=O)(=O)C1=CC=C(CN(CC2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C2)C=C1
inchi:
InChI=1S/C20H19NO6S2/c22-28(23,24)19-10-6-16(7-11-19)14-21(18-4-2-1-3-5-18)15-17-8-12-20(13-9-17)29(25,26)27/h1-13H,14-15H2,(H,22,23,24)(H,25,26,27)


name: Sodium 5-[(4-amino-5-hydroxy-o-tolyl)azo]-2-chlorobenzenesulphonate
cas: 94166-73-1
dtxsid: DTXSID20916210
formula: C13H12ClN3O4S
inchikey: UPGFSXRNCUHGBM-UHFFFAOYSA-M
norman_susdat_id: NS00066280
pubchem_cid: 3023924
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC2=CC(O)=C(N)C=C2C)=CC=C1Cl
inchi:
InChI=1/C13H12ClN3O4S.Na/c1-7-4-10(15)12(18)6-11(7)17-16-8-2-3-9(14)13(5-8)22(19,20)21;/h2-6,18H,15H2,1H3,(H,19,20,21);/q;+1/p-1


name: 5-[(4-amino-5-hydroxy-o-tolyl)azo]-2-chlorobenzenesulphonic acid
cas: 94166-74-2
formula: C13H12ClN3O4S
inchikey: IISWXNSPKOUXPH-UHFFFAOYSA-N
norman_susdat_id: NS00093420
smiles: O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(O)c(N)cc2C
inchi:
InChI=1/C13H12ClN3O4S/c1-7-4-10(15)12(18)6-11(7)17-16-8-2-3-9(14)13(5-8)22(19,20)21/h2-6,18H,15H2,1H3,(H,19,20,21)


name: 4-(Bis(4-(ethylamino)-3-methylphenyl)methyl)benzene-1,3-disulphonic acid
cas: 94166-75-3
chemspiderid: 2289972
dtxsid: DTXSID00240924
formula: C25H30N2O6S2
inchikey: RTUBHMZPHXKJST-UHFFFAOYSA-N
norman_susdat_id: NS00040214
pubchem_cid: 3023925
smiles: CCNc1c(C)cc(cc1)C(c1cc(C)c(NCC)cc1)c1c(cc(cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C25H30N2O6S2/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33/h7-15,25-27H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33)


name: Disodium 7-amino-4-hydroxy-8-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 94166-76-4
formula: C16H13N3O7S2.2Na
inchikey: HXHJTOIGPGGSRT-UHFFFAOYSA-L
norman_susdat_id: NS00093115
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3c(N)ccc2c3cc(cc2O)S([O-])(=O)=O
inchi:
InChI=1/C16H13N3O7S2.2Na/c17-14-5-4-12-13(7-11(8-15(12)20)28(24,25)26)16(14)19-18-9-2-1-3-10(6-9)27(21,22)23;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


cas: 94166-77-5
chemspiderid: 21167045
dtxsid: DTXSID60240925
formula: C47H51N3O7S2
inchikey: SPCVJBCPVGCJDG-UHFFFAOYSA-N
norman_susdat_id: NS00040215
pubchem_cid: 56841287
name:
3,3'-(((4-((4-Ethoxyphenyl)amino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid

inchi:
InChI=1S/C47H51N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30,47-48H,6-8,31-32H2,1-5H3,(H,51,52,53)(H,54,55,56)

smiles:
CCOC1=CC=C(NC2=CC=C(C=C2)C(C2=C(C)C=C(C=C2)N(CC)CC2=CC(=CC=C2)S(O)(=O)=O)C2=C(C)C=C(C=C2)N(CC)CC2=CC(=CC=C2)S(O)(=O)=O)C=C1


name: 5-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
cas: 94166-78-6
dtxsid: DTXSID50916208
formula: C16H18N2O2
inchikey: FMDRDYRSPCQUOF-UHFFFAOYSA-N
norman_susdat_id: NS00066717
pubchem_cid: 3023928
smiles: O=C=NC1=CC(=CC=C1C)CC2CCCCC2N=C=O
inchi:
InChI=1/C16H18N2O2/c1-12-6-7-13(9-16(12)18-11-20)8-14-4-2-3-5-15(14)17-10-19/h6-7,9,14-15H,2-5,8H2,1H3


name: 3-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
cas: 94166-79-7
dtxsid: DTXSID90916207
formula: C16H18N2O2
inchikey: HVZNNFVEMZLASN-UHFFFAOYSA-N
norman_susdat_id: NS00066718
pubchem_cid: 3023929
smiles: O=C=NC1=CC=CC(=C1C)CC2CCCCC2N=C=O
inchi:
InChI=1/C16H18N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h4,6,8,14,16H,2-3,5,7,9H2,1H3


name: 5-(o-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate
cas: 94166-83-3
chemspiderid: 21167046
dtxsid: DTXSID80240927
formula: C17H11N3O3
inchikey: GMRNPNMSFIZWBC-UHFFFAOYSA-N
norman_susdat_id: NS00040217
pubchem_cid: 44146124
smiles: Cc1c(cc(Cc2c(cccc2)N=C=O)cc1N=C=O)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-16(19-10-22)7-13(8-17(12)20-11-23)6-14-4-2-3-5-15(14)18-9-21/h2-5,7-8H,6H2,1H3


name: 5-(o-Isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate
cas: 94166-84-4
chemspiderid: 21167047
dtxsid: DTXSID40240928
formula: C17H11N3O3
inchikey: NUPFKDQTOQCZOA-UHFFFAOYSA-N
norman_susdat_id: NS00040218
pubchem_cid: 44145139
smiles: Cc1c(Cc2c(cccc2)N=C=O)cc(cc1N=C=O)N=C=O
inchi:
InChI=1S/C17H11N3O3/c1-12-14(6-13-4-2-3-5-16(13)19-10-22)7-15(18-9-21)8-17(12)20-11-23/h2-5,7-8H,6H2,1H3


cas: 94166-86-6
chemspiderid: 57523609
dtxsid: DTXSID00240929
formula: C36H62O18
inchikey: UYCORZHZFZCRHD-AALVTZLDSA-N
norman_susdat_id: NS00040219
pubchem_cid: 44149652
name:
beta-D-Fructofuranosyl alpha-D-glucopyranoside, mono(3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate)

inchi:
InChI=1S/C36H62O18/c1-2-3-4-8-13-23(41)14-10-12-22(11-7-5-6-9-15-26(42)43)35(16-17-37,34(50)54-36(21-40)32(49)29(46)25(20-39)53-36)18-27(44)52-33-31(48)30(47)28(45)24(19-38)51-33/h10,12,22-25,28-33,37-41,45-49H,2-9,11,13-21H2,1H3,(H,42,43)/b12-10+/t22-,23+,24-,25?,28?,29-,30?,31-,32?,33-,35+,36?/m1/s1

smiles:
CCCCCCC(O)CC=CC(CCCCCCC(O)=O)C(CCO)(CC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O


name: Ruxolitinib
cas: 941678-49-5
chebiid: CHEBI:91405
chemspiderid: 24808460
dtxsid: DTXSID10240930
formula: C17H18N6
inchikey: HFNKQEVNSGCOJV-UHFFFAOYSA-N
norman_susdat_id: NS00002932
pubchem_cid: 17754772
smiles: N#CCC(C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
inchi:
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)


name: 3-[(Methanesulfonyl)amino]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboximidic acid
cas: 941690-55-7
chebiid: CHEBI:140478
dtxsid: DTXSID10916204
formula: C26H25N3O3S
inchikey: QYTBBBAHNIWFOD-NRFANRHFSA-N
norman_susdat_id: NS00072517
pubchem_cid: 23649245
smiles: CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
inchi:
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1


name: (3,3,4,4,5,5,6,6,6-Nonafluorohexyl)(triphenyl)phosphanium iodide
cas: 94190-72-4
dtxsid: DTXSID40758997
formula: C24H19F9IP
inchikey: XHPNKLLIHAWGFD-UHFFFAOYSA-M
norman_susdat_id: NS00110244
smiles: [I-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C24H19F9P.HI/c25-21(26,22(27,28)23(29,30)24(31,32)33)16-17-34(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1


name: Triphenyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium iodide
cas: 94190-73-5
dtxsid: DTXSID80896640
formula: C26H19F13IP
inchikey: CIKIDDKPRJUVDC-UHFFFAOYSA-M
norman_susdat_id: NS00111840
smiles: [I-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H19F13P.HI/c27-21(28,22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39)16-17-40(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1


cas: 94196-26-6
dtxsid: DTXSID60730715
formula: C11H8F17NO5S2
inchikey: KRTQFEXYGLHZDD-UHFFFAOYSA-N
norman_susdat_id: NS00110916
smiles: CCN(CS(O)(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
[Ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)amino]methanesulfonic acid

inchi:
InChI=1S/C11H8F17NO5S2/c1-2-29(3-35(30,31)32)36(33,34)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2-3H2,1H3,(H,30,31,32)


name: 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid
cas: 94199-45-8
chemspiderid: 2289976
dtxsid: DTXSID30240932
formula: C26H46N2O2
inchikey: KUUQXKLQMIXMMQ-UHFFFAOYSA-N
norman_susdat_id: NS00040221
pubchem_cid: 3023931
smiles: CCCCCCCCCCCCCCCCCCN(C)c1c(N)cc(cc1)C(=O)O
inchi:
InChI=1S/C26H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30)


name: 3-amino-4-(methyloctadecylamino)benzoic acid monohydrochloride
cas: 94199-46-9
formula: C26H46N2O2.ClH
inchikey: WWRSQXQQEFOZLH-UHFFFAOYSA-N
norman_susdat_id: NS00093149
smiles: Cl.CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)C(=O)O
inchi:
InChI=1/C26H46N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27;/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30);1H


name: Benzyl N-(4-((4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl)azo)phenyl)-N-methylglycinate
cas: 94199-50-5
chemspiderid: 21167048
dtxsid: DTXSID70240936
formula: C23H18N8O2
inchikey: GORZOAWJKSYZIM-ZQHSETAFSA-N
norman_susdat_id: NS00040222
pubchem_cid: NA
smiles: CN(CC(=O)OCc1ccccc1)c1ccc(cc1)N=Nc1nc(C#N)c(C#N)n1CC#N
inchi:
InChI=1S/C23H18N8O2/c1-30(15-22(32)33-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)28-29-23-27-20(13-25)21(14-26)31(23)12-11-24/h2-10H,12,15-16H2,1H3/b29-28+


name: Sodium 5-amino-2-dodecylbenzenesulphonate
cas: 94199-51-6
formula: C18H31NO3S.Na
inchikey: YWFTUCSGHSJLFY-UHFFFAOYSA-M
norman_susdat_id: NS00093421
smiles: [Na+].CCCCCCCCCCCCc1ccc(N)cc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H31NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22;/h13-15H,2-12,19H2,1H3,(H,20,21,22);/q;+1/p-1


name: 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide
cas: 94199-54-9
formula: C16H12ClN6O4
inchikey: NIGCSZDGWBXICR-UHFFFAOYSA-N
norman_susdat_id: NS00066721
pubchem_cid: 3023933
smiles: O=C(N)C1=NN(C(=O)C1N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H11ClN6O4/c17-9-6-7-11(12(8-9)23(26)27)19-20-14-13(15(18)24)21-22(16(14)25)10-4-2-1-3-5-10/h1-8,14H,(H2,18,24)


name: N-(o-anisyl)-3-hydroxy-4-[[4-(phenylazo)phenyl]azo]naphthalene-2-carboxamide
cas: 94199-56-1
formula: C31H25N5O3
inchikey: MFQXQTKHNMBPCX-UHFFFAOYSA-N
norman_susdat_id: NS00066202
pubchem_cid: NA
smiles: O=C(NCC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(N=NC=5C=CC=CC5)C=C4)=C2O
inchi:
InChI=1/C31H25N5O3/c1-39-28-14-8-6-10-22(28)20-32-31(38)27-19-21-9-5-7-13-26(21)29(30(27)37)36-35-25-17-15-24(16-18-25)34-33-23-11-3-2-4-12-23/h2-19,37H,20H2,1H3,(H,32,38)


name: N-(2-ethoxyphenyl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide
cas: 94199-57-2
formula: C25H21N4O5
inchikey: SVVCPEQGLYFCAX-UHFFFAOYSA-N
norman_susdat_id: NS00066722
pubchem_cid: 3023934
smiles: O=C(NC=1C=CC=CC1OCC)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4[N+](=O)[O-])=C2O
inchi:
InChI=1/C25H20N4O5/c1-2-34-22-14-8-6-12-20(22)26-25(31)18-15-16-9-3-4-10-17(16)23(24(18)30)28-27-19-11-5-7-13-21(19)29(32)33/h3-15,30H,2H2,1H3,(H,26,31)


name: 2-Acetyl-4-nitro-1-nitrosoanthraquinone
cas: 94199-58-3
chemspiderid: 17334219
dtxsid: DTXSID90240938
formula: C16H8N2O6
inchikey: CSJUKGNLUWPQDW-UHFFFAOYSA-N
norman_susdat_id: NS00040223
pubchem_cid: 16206042
smiles: CC(=O)c1c(N=O)c2c(C(=O)c3ccccc3C2=O)c(c1)[N+](=O)[O-]
inchi:
InChI=1S/C16H8N2O6/c1-7(19)10-6-11(18(23)24)12-13(14(10)17-22)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,1H3


name: Methyl 2-[(2,6,10-trimethyl-9-undecenylidene)amino]benzoate
cas: 94199-59-4
formula: C22H33NO2
inchikey: LLKNNLDMKUTUKR-UHFFFAOYSA-N
norman_susdat_id: NS00066203
pubchem_cid: 3023935
smiles: O=C(OC)C=1C=CC=CC1N=CC(C)CCCC(C)CCC=C(C)C
inchi:
InChI=1/C22H33NO2/c1-17(2)10-8-11-18(3)12-9-13-19(4)16-23-21-15-7-6-14-20(21)22(24)25-5/h6-7,10,14-16,18-19H,8-9,11-13H2,1-5H3


name: [2-(henicos-12-enyl)-4,5-dihydro-4-(hydroxymethyl)-4-oxazolidinyl]methyl docos-13-enoate
cas: 94199-62-9
formula: C48H91NO4
inchikey: HCQJDCWTDOGGOJ-UHFFFAOYSA-N
norman_susdat_id: NS00066723
pubchem_cid: NA
smiles: O=C(OCC1(NC(OC1)CCCCCCCCCCCC=CCCCCCCCC)CO)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C48H91NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46-49-48(43-50,44-52-46)45-53-47(51)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,46,49-50H,3-16,21-45H2,1-2H3


name: Sodium 4,5-dihydro-2-undecyl-1H-imidazole-1-acetate
cas: 94199-63-0
dtxsid: DTXSID60240940
formula: C16H30N2O2
inchikey: CXPCCVSLEPOZQM-UHFFFAOYSA-M
norman_susdat_id: NS00066488
pubchem_cid: 3023938
smiles: [Na+].O=C([O-])CN1C(=NCC1)CCCCCCCCCCC
inchi:
InChI=1/C16H30N2O2.Na/c1-2-3-4-5-6-7-8-9-10-11-15-17-12-13-18(15)14-16(19)20;/h2-14H2,1H3,(H,19,20);/q;+1/p-1


cas: 94199-65-2
formula: C25H46N2O3.C18H34O2
inchikey: PGIBZZOLUCEVQW-SVMKZPJVSA-N
norman_susdat_id: NS00093158
smiles: CCCCCCCC\C=C/CCCCCCCC(O)=O.OC(=O)CCOCCN1CC\N=C1\CCCCCCCC=CCCCCCCCC
name:
Oleic acid, compound with 3-[2-[2-(heptadec-8-enyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionic acid (1:1)

inchi:
InChI=1/C25H46N2O3.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-23H2,1H3,(H,28,29);9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Diphosphoric acid, compound with 2,2',2''-nitrilotris[ethanol] (1:4)
cas: 94199-68-5
formula: C6H15NO3.1/4H4O7P2
inchikey: RVIDKKYESQJWRB-UHFFFAOYSA-N
norman_susdat_id: NS00093287
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OP(=O)(O)O
inchi:
InChI=1/4C6H15NO3.H4O7P2/c4*8-4-1-7(2-5-9)3-6-10;1-8(2,3)7-9(4,5)6/h4*8-10H,1-6H2;(H2,1,2,3)(H2,4,5,6)


name: Sodium 6-[methyl(phenylsulphonyl)amino]hexanoate
cas: 94199-71-0
formula: C13H19NO4S.Na
inchikey: UYNVFCVPMFZLSK-UHFFFAOYSA-M
norman_susdat_id: NS00093422
smiles: [Na+].CN(CCCCCC(=O)[O-])S(=O)(=O)c1ccccc1
inchi:
InChI=1/C13H19NO4S.Na/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);/q;+1/p-1


name: Disodium dihydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94199-72-1
formula: C9H23NO6P2.2Na
inchikey: YLPSWBUHIOXQHP-UHFFFAOYSA-J
norman_susdat_id: NS00093070
smiles: [Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.2Na/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: Trisodium hydrogen [(heptylimino)bis(methylene)]bisphosphonate
cas: 94199-73-2
formula: C9H23NO6P2.3Na
inchikey: NQZPCVBNPUNFFT-UHFFFAOYSA-J
norman_susdat_id: NS00092820
smiles: [Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.3Na/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: Tetrasodium [(heptylimino)bis(methylene)]bisphosphonate
cas: 94199-74-3
formula: C9H23NO6P2.4Na
inchikey: DIUNZUCWUASXNY-UHFFFAOYSA-J
norman_susdat_id: NS00092821
smiles: [Na+].[Na+].[Na+].[Na+].CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C9H23NO6P2.4Na/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: Disodium dihydrogen [(hexylimino)bis(methylene)]bisphosphonate
cas: 94199-75-4
formula: C8H21NO6P2.2Na
inchikey: PQUYKULFIJUWQL-UHFFFAOYSA-J
norman_susdat_id: NS00092822
smiles: [Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.2Na/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: Tetrasodium [(hexylimino)bis(methylene)]bisphosphonate
cas: 94199-76-5
formula: C8H21NO6P2.4Na
inchikey: VWRUAUDJNPVQLX-UHFFFAOYSA-J
norman_susdat_id: NS00093331
smiles: [Na+].[Na+].[Na+].[Na+].CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C8H21NO6P2.4Na/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: Disodium dihydrogen [(butylimino)bis(methylene)]bisphosphonate
cas: 94199-77-6
formula: C6H17NO6P2.2Na
inchikey: HCVBBTGJOXHHQO-UHFFFAOYSA-J
norman_susdat_id: NS00093087
smiles: [Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.2Na/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: Disodium dihydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94199-78-7
formula: C5H15NO6P2.2Na
inchikey: BVUGTJJXUNASMD-UHFFFAOYSA-J
norman_susdat_id: NS00093088
smiles: [Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2Na/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: Trisodium hydrogen [(propylimino)bis(methylene)]diphosphonate
cas: 94199-79-8
formula: C5H15NO6P2.3Na
inchikey: ANMFEKVFUBQZDV-UHFFFAOYSA-J
norman_susdat_id: NS00092823
smiles: [Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3Na/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: Tetrasodium [(propylimino)bis(methylene)]diphosphonate
cas: 94199-80-1
formula: C5H15NO6P2.4Na
inchikey: QERBDUDCPJCLER-UHFFFAOYSA-J
norman_susdat_id: NS00093089
smiles: [Na+].[Na+].[Na+].[Na+].CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.4Na/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: Disodium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94199-81-2
formula: C5H15NO6P2.2Na
inchikey: OLVZKKXNNWXAPU-UHFFFAOYSA-J
norman_susdat_id: NS00093090
smiles: [Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.2Na/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: Trisodium hydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
cas: 94199-82-3
formula: C5H15NO6P2.3Na
inchikey: JHPKDRCBFFEFES-UHFFFAOYSA-J
norman_susdat_id: NS00092782
smiles: [Na+].[Na+].[Na+].CC(C)N(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C5H15NO6P2.3Na/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: 1-benzyl-3-carboxypyridinium chloride, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 94199-83-4
formula: C13H12NO2.C6H15NO3.Cl
inchikey: OHJHAXVQIIDOHQ-UHFFFAOYSA-N
norman_susdat_id: NS00092783
smiles: [Cl-].OCCN(CCO)CCO.OC(=O)c1ccc[n+](Cc2ccccc2)c1
inchi:
InChI=1/C13H11NO2.C6H15NO3.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;8-4-1-7(2-5-9)3-6-10;/h1-8,10H,9H2;8-10H,1-6H2;1H


name: Oleic acid, compound with N-octadec-9-enylpropane-1,3-diamine (2:1)
cas: 94199-84-5
formula: C21H44N2.2C18H34O2
inchikey: VTXWSJAEIWTHCL-QHZLVCOXSA-N
norman_susdat_id: NS00092784
smiles: CCCCCCCCC=CCCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(O)=O.OC(=O)CCCCCCC/C=C\CCCCCCCC
inchi:
InChI=1/C21H44N2.2C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;2*9-10H,2-8,11-17H2,1H3,(H,19,20)


name: D-Glucitol 1,5-bis(bromoacetate)
cas: 94199-85-6
chemspiderid: 21167070
dtxsid: DTXSID30240957
formula: C10H16Br2O8
inchikey: IBSHJWOQTULFBH-NAXOPYRSSA-N
norman_susdat_id: NS00040226
pubchem_cid: 44150618
smiles: OC[C@@H](OC(=O)CBr)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CBr
inchi:
InChI=1S/C10H16Br2O8/c11-1-7(15)19-4-5(14)9(17)10(18)6(3-13)20-8(16)2-12/h5-6,9-10,13-14,17-18H,1-4H2/t5-,6+,9+,10+/m0/s1


name: D-Glucitol 1,4-bis(bromoacetate)
cas: 94199-86-7
chemspiderid: 21167071
dtxsid: DTXSID90240958
formula: C10H16Br2O8
inchikey: WGVYUKKDEMOGFQ-MLTZYSBQSA-N
norman_susdat_id: NS00040227
pubchem_cid: 44152264
smiles: OC[C@@H](O)[C@@H](OC(=O)CBr)[C@H](O)[C@@H](O)COC(=O)CBr
inchi:
InChI=1S/C10H16Br2O8/c11-1-7(16)19-4-6(15)9(18)10(5(14)3-13)20-8(17)2-12/h5-6,9-10,13-15,18H,1-4H2/t5-,6+,9-,10-/m1/s1


name: D-Glucitol 1,6-bis(bromoacetate)
cas: 94199-87-8
chemspiderid: 21167072
dtxsid: DTXSID50240959
formula: C10H16Br2O8
inchikey: LDSLASZUQAQSGH-MLTZYSBQSA-N
norman_susdat_id: NS00040228
pubchem_cid: 44154024
smiles: O[C@@H](COC(=O)CBr)[C@@H](O)[C@H](O)[C@H](O)COC(=O)CBr
inchi:
InChI=1S/C10H16Br2O8/c11-1-7(15)19-3-5(13)9(17)10(18)6(14)4-20-8(16)2-12/h5-6,9-10,13-14,17-18H,1-4H2/t5-,6+,9-,10-/m1/s1


name: D-Glucitol 2-(bromoacetate)
cas: 94199-88-9
chemspiderid: 21167073
dtxsid: DTXSID60240960
formula: C8H15Br1O7
inchikey: YRGPNCODYKTVJL-IXROVEORSA-N
norman_susdat_id: NS00040229
pubchem_cid: 44144740
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OC(=O)CBr
inchi:
InChI=1S/C8H15BrO7/c9-1-6(13)16-5(3-11)8(15)7(14)4(12)2-10/h4-5,7-8,10-12,14-15H,1-3H2/t4-,5-,7-,8-/m1/s1


name: D-Glucitol 1,3-bis(bromoacetate)
cas: 94199-89-0
chemspiderid: 21167074
dtxsid: DTXSID20240961
formula: C10H16Br2O8
inchikey: NCROLHPKBLFQFE-MLTZYSBQSA-N
norman_susdat_id: NS00040230
pubchem_cid: 44148400
smiles: OC[C@@H](O)[C@@H](O)[C@H](OC(=O)CBr)[C@@H](O)COC(=O)CBr
inchi:
InChI=1S/C10H16Br2O8/c11-1-7(16)19-4-6(15)10(20-8(17)2-12)9(18)5(14)3-13/h5-6,9-10,13-15,18H,1-4H2/t5-,6+,9-,10-/m1/s1


name: D-Glucitol 1,2-bis(bromoacetate)
cas: 94199-90-3
chemspiderid: 21167075
dtxsid: DTXSID80240962
formula: C10H16Br2O8
inchikey: RFRGHFUMYKGXTJ-MLTZYSBQSA-N
norman_susdat_id: NS00040231
pubchem_cid: 44151467
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](COC(=O)CBr)OC(=O)CBr
inchi:
InChI=1S/C10H16Br2O8/c11-1-7(15)19-4-6(20-8(16)2-12)10(18)9(17)5(14)3-13/h5-6,9-10,13-14,17-18H,1-4H2/t5-,6+,9-,10-/m1/s1


name: Dodecyldimethyltetradecylammonium hydroxide
cas: 94199-93-6
formula: C28H60N.HO
inchikey: ZRTYGXZYKBHKAC-UHFFFAOYSA-M
norman_susdat_id: NS00092785
smiles: [OH-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C28H60N.H2O/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2;/h5-28H2,1-4H3;1H2/q+1;/p-1


name: Benzyl [1-(aminocarbonyl)-2-[(methylsulphonyl)oxy]propyl]carbamate
cas: 94199-95-8
dtxsid: DTXSID20916199
formula: C13H18N2O6S
inchikey: FKFRPOGPNHJBGP-UHFFFAOYSA-N
norman_susdat_id: NS00065619
pubchem_cid: 3023943
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)N)C(OS(=O)(=O)C)C
inchi:
InChI=1/C13H18N2O6S/c1-9(21-22(2,18)19)11(12(14)16)15-13(17)20-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)


