CAS RN: 55947-62-1
CAS Name: N,N-diethyl-4-methyl-1-piperazinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine
OPENEYE Name: citric acid; N,N-diethyl-4-methyl-piperazine-1-carboxamide; 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine
IUPAC Name: N,N-diethyl-4-methylpiperazine-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
SYSTEMATIC NAME: N,N-diethyl-4-methyl-piperazine-1-carboxamide; 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C28H45N5O8S
MOLECULAR WEIGHT: 611.7506
SMILES: CCN(CC)C(=O)N1CCN(CC1)C.CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 55945-75-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38N2O5
MOLECULAR WEIGHT: 530.65452
SMILES: CC/1C/C=C/C2C3C(O3)(C(C4C2(C(=O)CCC(C(=O)/C(=C1)/C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C
Structure:
CAS RN: 55599-68-3
CAS Name: 2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-N-[1-[[(3E)-3-ethylidene-6,13-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
OPENEYE Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-[1-benzyl-2-[[(3E)-3-ethylidene-9-isopropyl-6,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-2-oxo-ethyl]-4-methyl-pentanamide
IUPAC Name: 2-[(2-acetamido-3-phenylpropanoyl)amino]-N-[1-[[(3E)-3-ethylidene-6,13-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
SYSTEMATIC NAME: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-[1-[[(3E)-3-ethylidene-6,13-dimethyl-2,5,8,11-tetrakis(oxidanylidene)-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-pentanamide
MOLECULAR FORMULA: C42H57N7O9
MOLECULAR WEIGHT: 803.94348
SMILES: C/C=C/1\C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)N1)C)C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C)C
Structure:
CAS RN: 55582-75-7
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyloct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyloct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyl-5-phenyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C26H38O5
MOLECULAR WEIGHT: 430.57692
SMILES: CCCC(C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O)C2=CC=CC=C2
Structure:
CAS RN: 55353-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H29N5O11
MOLECULAR WEIGHT: 551.50326
SMILES: C/C=C(\CO)/C(=O)O[C@H]1[C@@H]([C@H](O[C@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3OC)N4C=NC5=C4N=CN=C5N)O)C(=O)OC)O
Structure:
CAS RN: 55314-49-3
CAS Name: (1R,3E,10S,11E,13R,14R,16S)-14,16-dihydroxy-10-pentyl-9-oxabicyclo[11.3.0]hexadeca-3,11-dien-8-one
OPENEYE Name: (1R,3E,10S,11E,13R,14R,16S)-14,16-dihydroxy-10-pentyl-9-oxabicyclo[11.3.0]hexadeca-3,11-dien-8-one
IUPAC Name: (1R,3E,10S,11E,13R,14R,16S)-14,16-dihydroxy-10-pentyl-9-oxabicyclo[11.3.0]hexadeca-3,11-dien-8-one
SYSTEMATIC NAME: (1R,3E,10S,11E,13R,14R,16S)-14,16-bis(oxidanyl)-10-pentyl-9-oxabicyclo[11.3.0]hexadeca-3,11-dien-8-one
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC[C@H]1/C=C/[C@@H]2[C@@H](C/C=C/CCCC(=O)O1)[C@H](C[C@H]2O)O
Structure:
CAS RN: 54854-92-1
CAS Name: acetic acid [(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] ester
OPENEYE Name: [(E,1S)-1-[(1S)-1-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]ethyl]-2-methyl-but-2-enyl] acetate
IUPAC Name: [(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate
SYSTEMATIC NAME: [(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-6a,12b-dimethyl-12-oxidanyl-8,11-bis(oxidanylidene)-3-(2-oxidanylpropan-2-yl)-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-hex-4-en-3-yl] ethanoate
MOLECULAR FORMULA: C30H42O8
MOLECULAR WEIGHT: 530.64968
SMILES: C/C=C(\C)/[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C
Structure:
CAS RN: 144414-74-4
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)-2-benzo[e]indolylidene]ethylidene]-2-(4-ethoxycarbonyl-1-piperazin-1-iumylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C56H73N5O8S2
MOLECULAR WEIGHT: 1008.33752
SMILES: CCN(CC)CC.CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)/CC/C2=C/C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C=CC8=CC=CC=C87)(C)C)CC1
Structure:
CAS RN: 54849-69-3
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)-2-benzo[e]indolylidene]ethylidene]-2-(4-ethoxycarbonyl-1-piperazin-1-iumylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C56H73N5O8S2
MOLECULAR WEIGHT: 1008.33752
SMILES: CCN(CC)CC.CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)/CC/C2=C/C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C=CC8=CC=CC=C87)(C)C)CC1
Structure:
CAS RN: 55281-21-5
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)-2-benzo[e]indolylidene]ethylidene]-2-(4-ethoxycarbonyl-1-piperazin-1-iumylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C56H73N5O8S2
MOLECULAR WEIGHT: 1008.33752
SMILES: CCN(CC)CC.CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)/CC/C2=C/C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C=CC8=CC=CC=C87)(C)C)CC1
Structure:
CAS RN: 58984-24-0
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)-2-benzo[e]indolylidene]ethylidene]-2-(4-ethoxycarbonyl-1-piperazin-1-iumylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C56H73N5O8S2
MOLECULAR WEIGHT: 1008.33752
SMILES: CCN(CC)CC.CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)/CC/C2=C/C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C=CC8=CC=CC=C87)(C)C)CC1
Structure:
CAS RN: 90457-18-4
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)-2-benzo[e]indolylidene]ethylidene]-2-(4-ethoxycarbonyl-1-piperazin-1-iumylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(2Z)-2-[(3E)-3-[(2E)-2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-1,1-dimethyl-benzo[e]indol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C56H73N5O8S2
MOLECULAR WEIGHT: 1008.33752
SMILES: CCN(CC)CC.CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC5=CC=CC=C54)(C)C)/CC/C2=C/C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C=CC8=CC=CC=C87)(C)C)CC1
Structure:
CAS RN: 54712-17-3
CAS Name: acetic acid [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methyl-1-cyclohex-3-enyl] ester
OPENEYE Name: [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]-5-acetoxy-4-methyl-cyclohex-3-en-1-yl] acetate
IUPAC Name: [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate
SYSTEMATIC NAME: [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methyl-cyclohex-3-en-1-yl] ethanoate
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: CC1=C(C[C@@H](C[C@H]1OC(=O)C)OC(=O)C)/C=C\C2=CCC[C@]3([C@H]2CCC3[C@H](C)CCCC(C)C)C
Structure:
CAS RN: 54545-50-5
CAS Name: ethene; (Z)-4-ethoxy-4-oxo-2-butenoic acid; 2-methyl-2-propenoate
OPENEYE Name: (Z)-4-ethoxy-4-oxo-but-2-enoic acid; ethylene; 2-methylprop-2-enoate
IUPAC Name: ethene; (Z)-4-ethoxy-4-oxobut-2-enoic acid; 2-methylprop-2-enoate
SYSTEMATIC NAME: ethene; (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid; 2-methylprop-2-enoate
MOLECULAR FORMULA: C12H17O6-
MOLECULAR WEIGHT: 257.25978
SMILES: CCOC(=O)/C=C\C(=O)O.CC(=C)C(=O)[O-].C=C
Structure:
CAS RN: 71215-67-3
CAS Name: ethene; (Z)-4-ethoxy-4-oxo-2-butenoic acid; 2-methyl-2-propenoate
OPENEYE Name: (Z)-4-ethoxy-4-oxo-but-2-enoic acid; ethylene; 2-methylprop-2-enoate
IUPAC Name: ethene; (Z)-4-ethoxy-4-oxobut-2-enoic acid; 2-methylprop-2-enoate
SYSTEMATIC NAME: ethene; (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid; 2-methylprop-2-enoate
MOLECULAR FORMULA: C12H17O6-
MOLECULAR WEIGHT: 257.25978
SMILES: CCOC(=O)/C=C\C(=O)O.CC(=C)C(=O)[O-].C=C
Structure:
CAS RN: 54365-26-3
CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; isobenzofuran-1,3-dione; (Z)-9-octadecenoic acid
OPENEYE Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; (Z)-octadec-9-enoic acid
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C38H62O12
MOLECULAR WEIGHT: 710.89168
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 53172-74-0
CAS Name: disodium (Z)-2-butenedioate hydrate
OPENEYE Name: disodium (Z)-but-2-enedioate hydrate
IUPAC Name: disodium (Z)-but-2-enedioate hydrate
SYSTEMATIC NAME: disodium (Z)-but-2-enedioate hydrate
MOLECULAR FORMULA: C4H4Na2O5
MOLECULAR WEIGHT: 178.0511
SMILES: C(=C\C(=O)[O-])\C(=O)[O-].O.[Na+].[Na+]
Structure:
CAS RN: 53048-47-8
CAS Name: guanidine; (Z)-9-octadecenoic acid
OPENEYE Name: guanidine; (Z)-octadec-9-enoic acid
IUPAC Name: guanidine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: guanidine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C19H39N3O2
MOLECULAR WEIGHT: 341.53186
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C(=N)(N)N
Structure:
CAS RN: 52993-95-0
CAS Name: sodium 1-methoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: sodium 1-methoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: sodium 1-methoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: sodium 1-methoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C10H12NaO+
MOLECULAR WEIGHT: 171.19145
SMILES: C/C=C/C1=CC=C(C=C1)OC.[Na+]
Structure:
CAS RN: 52761-34-9
CAS Name: (E)-9-[(1E,3Z)-nona-1,3-dienoxy]-8-nonenoic acid
OPENEYE Name: (E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid
IUPAC Name: (E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid
SYSTEMATIC NAME: (E)-9-[(1E,3Z)-nona-1,3-dienoxy]non-8-enoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O
Structure:
CAS RN: 52683-68-8
CAS Name: 1-hexadecanamine; (E)-9-octadecen-1-amine; dihydrofluoride
OPENEYE Name: hexadecan-1-amine; (E)-octadec-9-en-1-amine; dihydrofluoride
IUPAC Name: hexadecan-1-amine; (E)-octadec-9-en-1-amine; dihydrofluoride
SYSTEMATIC NAME: hexadecan-1-amine; (E)-octadec-9-en-1-amine; dihydrofluoride
MOLECULAR FORMULA: C34H74F2N2
MOLECULAR WEIGHT: 548.961566
SMILES: CCCCCCCCCCCCCCCCN.CCCCCCCC/C=C/CCCCCCCCN.F.F
Structure:
CAS RN: 52591-16-9
CAS Name: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]-8-nonenoic acid
OPENEYE Name: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoic acid
IUPAC Name: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoic acid
SYSTEMATIC NAME: (E)-9-[(1E,3Z,6Z)-nona-1,3,6-trienoxy]non-8-enoic acid
MOLECULAR FORMULA: C18H28O3
MOLECULAR WEIGHT: 292.41312
SMILES: CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O
Structure:
CAS RN: 52212-92-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37NO2
MOLECULAR WEIGHT: 431.60958
SMILES: C[C@@H]1CCCC/C=C/C(=O)C23[C@@H](/C=C/C1)C=C([C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)C
Structure:
CAS RN: 52050-17-6
CAS Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-amino-3-hydroxy-octadec-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6R)-2-[(E,3R)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C24H47NO7
MOLECULAR WEIGHT: 461.63248
SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N)O
Structure:
CAS RN: 51980-16-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H65N13O11S2
MOLECULAR WEIGHT: 1040.2188
SMILES: CCC(=O)N[C@@H](CC12C=CC3(C(C1S2)S3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C/C=C\N=C(N)N)C(=O)NCC(=O)N
Structure:
CAS RN: 51924-48-2
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: ethyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: ethyl (Z)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC)O)O
Structure:
CAS RN: 51493-20-0
CAS Name: (E)-2-butenedioic acid; 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-benzimidazolyl]-1-propanone
OPENEYE Name: 3-[2-[[4-[(Z)-cinnamyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
MOLECULAR FORMULA: C38H40N4O9
MOLECULAR WEIGHT: 696.7456
SMILES: C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)C/C=C\C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 51257-84-2
CAS Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,5R,6R,9R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[[(2R,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-
OPENEYE Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,5R,6R,9R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dimethyl-4,10-d
IUPAC Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,5R,6R,9R)-3-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl
SYSTEMATIC NAME: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,5R,6R,9R)-3-[(2S,3S,5R,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9
MOLECULAR FORMULA: C47H78O13
MOLECULAR WEIGHT: 851.11442
SMILES: C[C@@H]1CC[C@@H](O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C
Structure:
CAS RN: 51202-86-9
CAS Name: (4E)-4-[(4-methoxyphenyl)methylidene]-2-[4-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-oxazolyl]phenyl]-5-oxazolone
OPENEYE Name: (4E)-4-[(4-methoxyphenyl)methylene]-2-[4-[(4E)-4-[(4-methoxyphenyl)methylene]-5-oxo-oxazol-2-yl]phenyl]oxazol-5-one
IUPAC Name: (4E)-4-[(4-methoxyphenyl)methylidene]-2-[4-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-[(4-methoxyphenyl)methylidene]-2-[4-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-one
MOLECULAR FORMULA: C28H20N2O6
MOLECULAR WEIGHT: 480.4682
SMILES: COC1=CC=C(C=C1)/C=C\2/N=C(OC2=O)C3=CC=C(C=C3)C4=N/C(=C/C5=CC=C(C=C5)OC)/C(=O)O4
Structure:
CAS RN: 51077-51-1
CAS Name: (2Z,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6-trienoic acid methyl ester
OPENEYE Name: methyl (2Z,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoate
IUPAC Name: methyl (2Z,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoate
SYSTEMATIC NAME: methyl (2Z,4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoate
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CC1=C(C(CCC1)(C)C)CC/C(=C/C=C/C(=C\C(=O)OC)/C)/C
Structure:
CAS RN: 51053-39-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37NO4
MOLECULAR WEIGHT: 463.60838
SMILES: CC1CCCC(/C=C/C(=O)C23C(/C=C/C1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O
Structure:
CAS RN: 50876-88-5
CAS Name: (Z)-1-(2,2-diethoxyethoxy)-3-hexene
OPENEYE Name: (Z)-1-(2,2-diethoxyethoxy)hex-3-ene
IUPAC Name: (Z)-1-(2,2-diethoxyethoxy)hex-3-ene
SYSTEMATIC NAME: (Z)-1-(2,2-diethoxyethoxy)hex-3-ene
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CC/C=C\CCOCC(OCC)OCC
Structure:
CAS RN: 50857-44-8
CAS Name: (E)-N-[2-(2-hydroxyethylamino)ethyl]-2-octadecenamide
OPENEYE Name: (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
IUPAC Name: (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
MOLECULAR FORMULA: C22H44N2O2
MOLECULAR WEIGHT: 368.59696
SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO
Structure:
CAS RN: 50814-29-4
CAS Name: disodium 5-[(2E)-2-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(2E)-2-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-[(E)-2-[4-[(2Z)-2-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(2E)-2-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(2E)-2-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C28H22N4Na2O8S2
MOLECULAR WEIGHT: 652.60582
SMILES: CC\1=CC(=O)C=C/C1=N\NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N/N=C\4/C=CC(=O)C=C4C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 50807-71-1
CAS Name: carbonochloridic acid [(Z)-octadec-9-enyl] ester
OPENEYE Name: [(Z)-octadec-9-enyl] carbonochloridate
IUPAC Name: [(Z)-octadec-9-enyl] carbonochloridate
SYSTEMATIC NAME: [(Z)-octadec-9-enyl] carbonochloridate
MOLECULAR FORMULA: C19H35ClO2
MOLECULAR WEIGHT: 330.933
SMILES: CCCCCCCC/C=C\CCCCCCCCOC(=O)Cl
Structure:
CAS RN: 50657-19-7
CAS Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene
OPENEYE Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethyl-cyclohexene
IUPAC Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene
SYSTEMATIC NAME: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethyl-cyclohexene
MOLECULAR FORMULA: C40H58
MOLECULAR WEIGHT: 538.88852
SMILES: CC1=CCCC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)(C)C
Structure:
CAS RN: 514-89-6
CAS Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene
OPENEYE Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethyl-cyclohexene
IUPAC Name: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethylcyclohexene
SYSTEMATIC NAME: (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,5,5-trimethyl-cyclohexene
MOLECULAR FORMULA: C40H58
MOLECULAR WEIGHT: 538.88852
SMILES: CC1=CCCC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)(C)C
Structure:
CAS RN: 50657-07-3
CAS Name: (2S)-2-methylbutanoic acid [(3S,3aR,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3S,3aR,6S,6aS,8R,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methylbutanoate
IUPAC Name: [(3S,3aR,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methylbutanoate
SYSTEMATIC NAME: [(3S,3aR,6S,6aS,8R,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methylbutanoate
MOLECULAR FORMULA: C27H38O10
MOLECULAR WEIGHT: 522.58462
SMILES: CC[C@H](C)C(=O)OC1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C
Structure:
CAS RN: 50556-36-0
CAS Name: disodium 5-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4,6-bis[3-[2-(2-hydroxyethyloxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[3-[2-(2-hydroxyethyloxy)ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C48H74N12Na2O18S2
MOLECULAR WEIGHT: 1217.2803
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCCOCCOCCO)NCCCOCCOCCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCCOCCOCCO)NCCCOCCOCCO)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 50416-39-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H40N2O7
MOLECULAR WEIGHT: 612.712
SMILES: C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3C2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)OC(=O)C
Structure:
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