CAS RN: 93982-65-1
CAS Name: tetrasodium 5-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-[(E)-2-[4-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-[(E)-2-[4-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-[(E)-2-[4-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-[(E)-2-[4-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C42H32N8Na4O16S4
MOLECULAR WEIGHT: 1124.96656
SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=[N+](C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)[N+](=NC5=C(C=C(C(=C5)C)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])OC)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 102418-06-4
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6R)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyd
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-d
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxidanyl-2-oxidanylidene-1-oxacyclohexadeca-11,13-dien-7-yl
MOLECULAR FORMULA: C36H62N2O11
MOLECULAR WEIGHT: 698.88428
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C
Structure:
CAS RN: 70253-62-2
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6R)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyd
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-d
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxidanyl-2-oxidanylidene-1-oxacyclohexadeca-11,13-dien-7-yl
MOLECULAR FORMULA: C36H62N2O11
MOLECULAR WEIGHT: 698.88428
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C
Structure:
CAS RN: 70024-81-6
CAS Name: ethane-1,2-diamine; (Z)-9-octadecenoic acid
OPENEYE Name: ethane-1,2-diamine; (Z)-octadec-9-enoic acid
IUPAC Name: ethane-1,2-diamine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C20H42N2O2
MOLECULAR WEIGHT: 342.55968
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CN)N
Structure:
CAS RN: 70024-80-5
CAS Name: 2-(2-aminoethylamino)ethanol; (Z)-9-octadecenoic acid; 2-propenoic acid methyl ester
OPENEYE Name: 2-(2-aminoethylamino)ethanol; methyl prop-2-enoate; (Z)-octadec-9-enoic acid
IUPAC Name: 2-(2-aminoethylamino)ethanol; methyl prop-2-enoate; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 2-(2-azanylethylamino)ethanol; methyl prop-2-enoate; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C26H52N2O5
MOLECULAR WEIGHT: 472.70148
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.COC(=O)C=C.C(CNCCO)N
Structure:
CAS RN: 69929-44-8
CAS Name: acetic acid; 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: acetic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: acetic acid; 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; ethane-1,2-diamine; ethanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C50H98N4O6
MOLECULAR WEIGHT: 851.33632
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CC(=O)O.CC1(CC(CC(C1)N)(CN)C)C.C(N)CN
Structure:
CAS RN: 69929-35-7
CAS Name: decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid; 4-[3-(4-piperidinyl)propyl]piperidine
OPENEYE Name: decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid; 4-[3-(4-piperidyl)propyl]piperidine
IUPAC Name: decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid; 4-(3-piperidin-4-ylpropyl)piperidine
SYSTEMATIC NAME: decanedioic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid; 4-(3-piperidin-4-ylpropyl)piperidine
MOLECULAR FORMULA: C61H116N4O8
MOLECULAR WEIGHT: 1033.59574
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C1C(CCNC1)CCCC2CCNCC2.C(CCCC(=O)O)CCCCC(=O)O.C(N)CN
Structure:
CAS RN: 69929-08-4
CAS Name: 2-[(Z)-2,4,4-trimethylpent-1-enyl]butanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[(Z)-2,4,4-trimethylpent-1-enyl]butanedioate
IUPAC Name: dimethyl 2-[(Z)-2,4,4-trimethylpent-1-enyl]butanedioate
SYSTEMATIC NAME: dimethyl 2-[(Z)-2,4,4-trimethylpent-1-enyl]butanedioate
MOLECULAR FORMULA: C14H24O4
MOLECULAR WEIGHT: 256.33796
SMILES: C/C(=C/C(CC(=O)OC)C(=O)OC)/CC(C)(C)C
Structure:
CAS RN: 69898-17-5
CAS Name: 2-butanone; (2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)acetaldehyde
OPENEYE Name: butan-2-one; (2E)-2-(3,3-dimethylnorbornan-2-ylidene)acetaldehyde
IUPAC Name: butan-2-one; (2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)acetaldehyde
SYSTEMATIC NAME: butan-2-one; (2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanal
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CCC(=O)C.CC\1(C2CCC(C2)/C1=C\C=O)C
Structure:
CAS RN: 69556-15-6
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 69178-37-6
CAS Name: trisodium 2-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]-5-benzo[e]benzotriazolesulfonate
OPENEYE Name: trisodium 2-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
IUPAC Name: trisodium 2-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
SYSTEMATIC NAME: trisodium 2-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]benzo[e]benzotriazole-5-sulfonate
MOLECULAR FORMULA: C24H13N4Na3O11S3
MOLECULAR WEIGHT: 698.54453
SMILES: C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 69102-93-8
CAS Name: 7-hydroxy-3,7-dimethyloctanal; 1H-indole; (2E)-2-(phenylmethylene)heptanal
OPENEYE Name: (2E)-2-benzylideneheptanal; 7-hydroxy-3,7-dimethyl-octanal; indole
IUPAC Name: (2E)-2-benzylideneheptanal; 7-hydroxy-3,7-dimethyloctanal; 1H-indole
SYSTEMATIC NAME: 3,7-dimethyl-7-oxidanyl-octanal; 1H-indole; (2E)-2-(phenylmethylidene)heptanal
MOLECULAR FORMULA: C32H45NO3
MOLECULAR WEIGHT: 491.7046
SMILES: CCCCC/C(=C\C1=CC=CC=C1)/C=O.CC(CCCC(C)(C)O)CC=O.C1=CC=C2C(=C1)C=CN2
Structure:
CAS RN: 69056-14-0
CAS Name: 7-[(E)-prop-1-enyl]-2,3,4-tripropyl-8-quinolinol
OPENEYE Name: 7-[(E)-prop-1-enyl]-2,3,4-tripropyl-quinolin-8-ol
IUPAC Name: 7-[(E)-prop-1-enyl]-2,3,4-tripropylquinolin-8-ol
SYSTEMATIC NAME: 7-[(E)-prop-1-enyl]-2,3,4-tripropyl-quinolin-8-ol
MOLECULAR FORMULA: C21H29NO
MOLECULAR WEIGHT: 311.46106
SMILES: CCCC1=C2C=CC(=C(C2=NC(=C1CCC)CCC)O)/C=C/C
Structure:
CAS RN: 69029-35-2
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; nonanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; prop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; nonanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; prop-2-enoic acid
MOLECULAR FORMULA: C66H107ClO11
MOLECULAR WEIGHT: 1112.00218
SMILES: CCCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C.C=CC(=O)O.C1OC1CCl
Structure:
CAS RN: 69011-42-3
CAS Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; (2E,7E)-4-methylnona-2,7-dienedioic acid; 2-propenenitrile; 2-propenoic acid methyl ester
OPENEYE Name: 1,2-divinylbenzene; 1-ethyl-2-vinyl-benzene; (2E,7E)-4-methylnona-2,7-dienedioic acid; methyl prop-2-enoate; prop-2-enenitrile
IUPAC Name: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethylbenzene; (2E,7E)-4-methylnona-2,7-dienedioic acid; methyl prop-2-enoate; prop-2-enenitrile
SYSTEMATIC NAME: 1,2-bis(ethenyl)benzene; 1-ethenyl-2-ethyl-benzene; (2E,7E)-4-methylnona-2,7-dienedioic acid; methyl prop-2-enoate; prop-2-enenitrile
MOLECULAR FORMULA: C37H45NO6
MOLECULAR WEIGHT: 599.7563
SMILES: CCC1=CC=CC=C1C=C.CC(CC/C=C/C(=O)O)/C=C/C(=O)O.COC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1C=C
Structure:
CAS RN: 68988-67-0
CAS Name: acetic acid ethenyl ester; (E)-2-butenedioic acid; ethenoxyethene
OPENEYE Name: fumaric acid; vinyl acetate; vinyloxyethylene
IUPAC Name: (E)-but-2-enedioic acid; ethenoxyethene; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethenoxyethene; ethenyl ethanoate
MOLECULAR FORMULA: C12H16O7
MOLECULAR WEIGHT: 272.25124
SMILES: CC(=O)OC=C.C=COC=C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68987-58-6
CAS Name: (Z)-2-butenedioic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C8H15NO6
MOLECULAR WEIGHT: 221.2078
SMILES: C(CO)NCCO.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 1784-46-9
CAS Name: sulfuric acid [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl] ester
OPENEYE Name: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] hydrogen sulfate
IUPAC Name: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
SYSTEMATIC NAME: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl] hydrogen sulfate
MOLECULAR FORMULA: C28H44O4S
MOLECULAR WEIGHT: 476.71156
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)OS(=O)(=O)O)C
Structure:
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