CAS RN: 860-22-0
CAS Name: (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
OPENEYE Name: (2Z)-3-oxo-2-(3-oxo-5-sulfo-indolin-2-ylidene)indoline-5-sulfonic acid
IUPAC Name: (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
SYSTEMATIC NAME: (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid
MOLECULAR FORMULA: C16H10N2O8S2
MOLECULAR WEIGHT: 422.3892
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C(=O)/C(=C/3\C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)/N2
Structure:
CAS RN: 495-99-8
CAS Name: (4E)-4-[2-[4-(diaminomethylidene)-1-cyclohexa-2,5-dienylidene]ethylidene]-3-oxo-1-cyclohexa-1,5-dienecarboximidamide
OPENEYE Name: (4E)-4-[2-[4-(diaminomethylene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxo-cyclohexa-1,5-diene-1-carboxamidine
IUPAC Name: (4E)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide
SYSTEMATIC NAME: (4E)-4-[2-[4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboximidamide
MOLECULAR FORMULA: C16H16N4O
MOLECULAR WEIGHT: 280.32444
SMILES: C1=CC(=C(N)N)C=CC1=C/C=C/2\C=CC(=CC2=O)C(=N)N
Structure:
CAS RN: 555-55-5
CAS Name: 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-4-pyranone
OPENEYE Name: 2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-6-hydroxy-pyran-4-one
IUPAC Name: 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxypyran-4-one
SYSTEMATIC NAME: 2-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-6-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C13H10O5
MOLECULAR WEIGHT: 246.2155
SMILES: C1=CC(=C(C=C1/C=C/C2=CC(=O)C=C(O2)O)O)O
Structure:
CAS RN: 85589-24-8
CAS Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,9-dienoic acid
OPENEYE Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
IUPAC Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
SYSTEMATIC NAME: (5E,9E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]-8-oxidanyl-deca-5,9-dienoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC/C=C/CC1C(O1)/C=C/C(C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 96790-35-1
CAS Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,9-dienoic acid
OPENEYE Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
IUPAC Name: (5E,9E)-8-hydroxy-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
SYSTEMATIC NAME: (5E,9E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]-8-oxidanyl-deca-5,9-dienoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC/C=C/CC1C(O1)/C=C/C(C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 525-57-5
CAS Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
OPENEYE Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
IUPAC Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
SYSTEMATIC NAME: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=C2C(=C3C=CC(=O)C=C3N2)CCN1
Structure:
CAS RN: 6028-00-8
CAS Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
OPENEYE Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
IUPAC Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
SYSTEMATIC NAME: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=C2C(=C3C=CC(=O)C=C3N2)CCN1
Structure:
CAS RN: 6028-07-5
CAS Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
OPENEYE Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
IUPAC Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
SYSTEMATIC NAME: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=C2C(=C3C=CC(=O)C=C3N2)CCN1
Structure:
CAS RN: 1686-12-0
CAS Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid
OPENEYE Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid
IUPAC Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid
SYSTEMATIC NAME: (6E,9E,12E)-octadeca-6,9,12-trienoic acid
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O
Structure:
CAS RN: 156604-45-4
CAS Name: 5-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]-1H-1,2,4-triazole
OPENEYE Name: 5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1H-1,2,4-triazole
IUPAC Name: 5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C17H27N3S
MOLECULAR WEIGHT: 305.48138
SMILES: CC(=CCC/C(=C/CC/C(=C/CSC1=NC=NN1)/C)/C)C
Structure:
CAS RN: 76824-35-6
CAS Name: 3-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]-N'-sulfamoylpropanimidamide
OPENEYE Name: 3-[(2-guanidinothiazol-4-yl)methylsulfanyl]-N'-sulfamoyl-propanamidine
IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
SYSTEMATIC NAME: 3-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoyl-propanimidamide
MOLECULAR FORMULA: C8H15N7O2S3
MOLECULAR WEIGHT: 337.4454
SMILES: C1=C(N=C(S1)N=C(N)N)CSCC/C(=N\S(=O)(=O)N)/N
Structure:
CAS RN: 63177-57-1
CAS Name: (E)-3-(2,5-dihydroxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[2,5-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)/C=C/C1=C(C=CC(=C1)O)O
Structure:
CAS RN: 36139-44-3
CAS Name: (5E)-5-[5-hydroxy-4-[(E)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
OPENEYE Name: (5E)-5-[5-hydroxy-4-[(E)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
IUPAC Name: (5E)-5-[5-hydroxy-4-[(E)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5E)-5-[5-oxidanyl-4-[(E)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CCCCCC(/C=C/C1C(CC2C1C/C(=C\CCCC(=O)O)/O2)O)O
Structure:
CAS RN: 105368-47-6
CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
OPENEYE Name: methyl 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
IUPAC Name: methyl 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate
SYSTEMATIC NAME: methyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoate
MOLECULAR FORMULA: C23H28O6
MOLECULAR WEIGHT: 400.46482
SMILES: COC(=O)CCC=C=CCC1C(C(CC1=O)O)/C=C/C(COC2=CC=CC=C2)O
Structure:
CAS RN: 99631-11-5
CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoic acid methyl ester
OPENEYE Name: methyl 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]hepta-4,5-dienoate
IUPAC Name: methyl 7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate
SYSTEMATIC NAME: methyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]hepta-4,5-dienoate
MOLECULAR FORMULA: C23H28O6
MOLECULAR WEIGHT: 400.46482
SMILES: COC(=O)CCC=C=CCC1C(C(CC1=O)O)/C=C/C(COC2=CC=CC=C2)O
Structure:
CAS RN: 56779-88-5
CAS Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3,5-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 4510-16-1
CAS Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3,5-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 23518-25-4
CAS Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3,5-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 151606-30-3
CAS Name: 2-[(hydroxyamino)-methylamino]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-[(hydroxyamino)-methyl-amino]-1,4-benzoquinone
IUPAC Name: 2-[(hydroxyamino)-methylamino]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[methyl-(oxidanylamino)amino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CN(C1=CC(=O)C=CC1=O)NO
Structure:
CAS RN: 37626-23-6
CAS Name: (5E)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide
OPENEYE Name: (5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide
IUPAC Name: (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
SYSTEMATIC NAME: (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
MOLECULAR FORMULA: C6H10N6O
MOLECULAR WEIGHT: 182.1832
SMILES: CN(C)N/N=C/1\C(=NC=N1)C(=O)N
Structure:
CAS RN: 94361-71-4
CAS Name: (5E)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide
OPENEYE Name: (5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide
IUPAC Name: (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
SYSTEMATIC NAME: (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide
MOLECULAR FORMULA: C6H10N6O
MOLECULAR WEIGHT: 182.1832
SMILES: CN(C)N/N=C/1\C(=NC=N1)C(=O)N
Structure:
CAS RN: 18444-66-1
CAS Name: acetic acid [(E)-6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester
OPENEYE Name: [(E)-5-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
IUPAC Name: [(E)-6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C32H44O8
MOLECULAR WEIGHT: 556.68696
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 6199-67-3
CAS Name: acetic acid [(E)-6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester
OPENEYE Name: [(E)-5-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
IUPAC Name: [(E)-6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C32H46O8
MOLECULAR WEIGHT: 558.70284
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 92676-86-3
CAS Name: 7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H19N3O5S
MOLECULAR WEIGHT: 389.42556
SMILES: C/C=C/C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
Structure:
CAS RN: 142978-18-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C(\C#N)/C(=O)O
Structure:
CAS RN: 152340-67-5
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O
Structure:
CAS RN: 3147-14-6
CAS Name: (4E)-4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid
OPENEYE Name: (4E)-4-[(2-hydroxy-5-methyl-phenyl)hydrazono]-3-oxo-naphthalene-1-sulfonic acid
IUPAC Name: (4E)-4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: (4E)-4-[(5-methyl-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C17H14N2O5S
MOLECULAR WEIGHT: 358.36846
SMILES: CC1=CC(=C(C=C1)O)N/N=C/2\C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O
Structure:
CAS RN: 4201-58-5
CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
OPENEYE Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexadecanamide
IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
SYSTEMATIC NAME: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]hexadecanamide
MOLECULAR FORMULA: C34H67NO3
MOLECULAR WEIGHT: 537.90068
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O
Structure:
CAS RN: 134470-38-5
CAS Name: 1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
OPENEYE Name: 1-[(E)-3-[3-(4-fluorophenoxy)phenyl]-1-methyl-allyl]-1-hydroxy-urea
IUPAC Name: 1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
SYSTEMATIC NAME: 1-[(E)-4-[3-(4-fluoranylphenoxy)phenyl]but-3-en-2-yl]-1-oxidanyl-urea
MOLECULAR FORMULA: C17H17FN2O3
MOLECULAR WEIGHT: 316.326883
SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
Structure:
CAS RN: 88070-98-8
CAS Name: (6Z)-6-(bromomethylidene)-3-(1-naphthalenyl)-2-oxanone
OPENEYE Name: (6Z)-6-(bromomethylene)-3-(1-naphthyl)tetrahydropyran-2-one
IUPAC Name: (6Z)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
SYSTEMATIC NAME: (6Z)-6-(bromanylmethylidene)-3-naphthalen-1-yl-oxan-2-one
MOLECULAR FORMULA: C16H13BrO2
MOLECULAR WEIGHT: 317.17722
SMILES: C1C/C(=C/Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32
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CAS RN: 106955-89-9
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MOLECULAR FORMULA: C50H72O14
MOLECULAR WEIGHT: 897.09828
SMILES: CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(C/C=C\C9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)CO)O)C)C)(OC6(CC5)C)C
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CAS RN: 85079-48-7
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MOLECULAR FORMULA: C50H72O14
MOLECULAR WEIGHT: 897.09828
SMILES: CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(C/C=C\C9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)CO)O)C)C)(OC6(CC5)C)C
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CAS RN: 79580-28-2
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MOLECULAR FORMULA: C50H70O14
MOLECULAR WEIGHT: 895.0824
SMILES: CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(C/C=C\C9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)C=O)O)C)C)(OC6(CC5)C)C
Structure:
CAS RN: 84277-18-9
CAS Name: (2Z,10Z)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
OPENEYE Name: (2Z,10Z)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
IUPAC Name: (2Z,10Z)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
SYSTEMATIC NAME: (2Z,10Z)-7-methyl-12,15-bis(oxidanyl)-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CC1CCC/C=C\C2CC(CC2C(/C=C\C(=O)O1)O)O
Structure:
CAS RN: 114-25-0
CAS Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxo-2-pyrrolyl)methylidene]-4-methyl-3-pyrrolyl]propanoic acid
OPENEYE Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methylene]pyrrol-3-yl]propanoic acid
IUPAC Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2Z,5E)-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C33H34N4O6
MOLECULAR WEIGHT: 582.64626
SMILES: CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C/C4=NC(=O)C(=C4C)C=C)CCC(=O)O
Structure:
CAS RN: 196309-76-9
CAS Name: (E)-3-(4-tert-butylphenyl)sulfonyl-2-propenenitrile
OPENEYE Name: (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
IUPAC Name: (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
MOLECULAR FORMULA: C13H15NO2S
MOLECULAR WEIGHT: 249.3287
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N
Structure:
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