CAS RN: 80235-19-4
CAS Name: 2-methylpropanoic acid [2-[1,2-dihydroxy-3-[(E)-1-oxo-3-phenylprop-2-enoxy]propan-2-yl]-5-(hydroxymethyl)phenyl] ester
OPENEYE Name: [2-[1-hydroxy-1-(hydroxymethyl)-2-[(E)-3-phenylprop-2-enoyl]oxy-ethyl]-5-(hydroxymethyl)phenyl] 2-methylpropanoate
IUPAC Name: [2-[1,2-dihydroxy-3-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]-5-(hydroxymethyl)phenyl] 2-methylpropanoate
SYSTEMATIC NAME: [2-[1,2-bis(oxidanyl)-3-[(E)-3-phenylprop-2-enoyl]oxy-propan-2-yl]-5-(hydroxymethyl)phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C23H26O7
MOLECULAR WEIGHT: 414.44834
SMILES: CC(C)C(=O)OC1=C(C=CC(=C1)CO)C(CO)(COC(=O)/C=C/C2=CC=CC=C2)O
Structure:
CAS RN: 80235-04-7
CAS Name: 2-methylpropanoic acid [5-(hydroxymethyl)-2-[2-[[(E)-1-oxo-3-phenylprop-2-enoxy]methyl]-2-oxiranyl]phenyl] ester
OPENEYE Name: [5-(hydroxymethyl)-2-[2-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxiran-2-yl]phenyl] 2-methylpropanoate
IUPAC Name: [5-(hydroxymethyl)-2-[2-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxiran-2-yl]phenyl] 2-methylpropanoate
SYSTEMATIC NAME: [5-(hydroxymethyl)-2-[2-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxiran-2-yl]phenyl] 2-methylpropanoate
MOLECULAR FORMULA: C23H24O6
MOLECULAR WEIGHT: 396.43306
SMILES: CC(C)C(=O)OC1=C(C=CC(=C1)CO)C2(CO2)COC(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 79790-32-2
CAS Name: (9Z,11E)-13-oxooctadeca-9,11-dienoic acid methyl ester
OPENEYE Name: methyl (9Z,11E)-13-oxooctadeca-9,11-dienoate
IUPAC Name: methyl (9Z,11E)-13-oxooctadeca-9,11-dienoate
SYSTEMATIC NAME: methyl (9Z,11E)-13-oxidanylideneoctadeca-9,11-dienoate
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)OC
Structure:
CAS RN: 79695-13-9
CAS Name: (5S,7E,9E,11Z,14Z,17Z)-6-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]thio]-5-hydroxyeicosa-7,9,11,14,17-pentaenoic acid
OPENEYE Name: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-5-hydroxy-icosa-7,9,11,14,17-pentaenoic acid
IUPAC Name: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
SYSTEMATIC NAME: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14,17-pentaenoic acid
MOLECULAR FORMULA: C25H38N2O6S
MOLECULAR WEIGHT: 494.64402
SMILES: CC/C=C\C/C=C\C/C=C\C=C\C=C\C([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N
Structure:
CAS RN: 79648-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H37NO6
MOLECULAR WEIGHT: 531.63928
SMILES: C[C@H]/1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C
Structure:
CAS RN: 79503-62-1
CAS Name: 6-[(1E,3E,5E)-6-[(1R,3R,4S,5S,7R)-4,8-dihydroxy-1,3,5,7-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methyl-2-pyranone
OPENEYE Name: 6-[(1E,3E,5E)-6-[(1R,3R,4S,5S,7R)-4,8-dihydroxy-1,3,5,7-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methyl-pyran-2-one
IUPAC Name: 6-[(1E,3E,5E)-6-[(1R,3R,4S,5S,7R)-4,8-dihydroxy-1,3,5,7-tetramethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
SYSTEMATIC NAME: 4-methoxy-5-methyl-6-[(1E,3E,5E)-6-[(1R,3R,4S,5S,7R)-1,3,5,7-tetramethyl-4,8-bis(oxidanyl)-2,6-dioxabicyclo[3.2.1]octan-3-yl]hexa-1,3,5-trienyl]pyran-2-one
MOLECULAR FORMULA: C23H30O7
MOLECULAR WEIGHT: 418.4801
SMILES: C[C@@H]1[C@]2(C([C@@](O1)([C@H]([C@@](O2)(C)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)O)C
Structure:
CAS RN: 79494-05-6
CAS Name: (5S,6R,7E,9E,11Z)-6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxyeicosa-7,9,11-trienoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z)-6-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-5-hydroxy-icosa-7,9,11-trienoic acid
IUPAC Name: (5S,6R,7E,9E,11Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z)-6-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11-trienoic acid
MOLECULAR FORMULA: C23H39NO5S
MOLECULAR WEIGHT: 441.62446
SMILES: CCCCCCCC/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N
Structure:
CAS RN: 79473-25-9
CAS Name: 2-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
OPENEYE Name: 2-[(3Z,6E)-1-butylundeca-3,6-dienyl]benzene-1,3-diol
IUPAC Name: 2-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
SYSTEMATIC NAME: 2-[(7Z,10E)-pentadeca-7,10-dien-5-yl]benzene-1,3-diol
MOLECULAR FORMULA: C21H32O2
MOLECULAR WEIGHT: 316.47758
SMILES: CCCC/C=C/C/C=C\CC(CCCC)C1=C(C=CC=C1O)O
Structure:
CAS RN: 79473-24-8
CAS Name: 2-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
OPENEYE Name: 2-[(3Z,6Z,9E)-1-methyltetradeca-3,6,9-trienyl]benzene-1,3-diol
IUPAC Name: 2-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
SYSTEMATIC NAME: 2-[(4Z,7Z,10E)-pentadeca-4,7,10-trien-2-yl]benzene-1,3-diol
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CCCC/C=C/C/C=C\C/C=C\CC(C)C1=C(C=CC=C1O)O
Structure:
CAS RN: 79355-94-5
CAS Name: (1S,2E,6E,10E,12S)-3,7,11-trimethyl-12-(1-methylethenyl)-1-cyclotetradeca-2,6,10-trienol
OPENEYE Name: (1S,2E,6E,10E,12S)-12-isopropenyl-3,7,11-trimethyl-cyclotetradeca-2,6,10-trien-1-ol
IUPAC Name: (1S,2E,6E,10E,12S)-3,7,11-trimethyl-12-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
SYSTEMATIC NAME: (1S,2E,6E,10E,12S)-3,7,11-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-2,6,10-trien-1-ol
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: C/C/1=C\CC/C(=C/[C@H](CC[C@H](/C(=C/CC1)/C)C(=C)C)O)/C
Structure:
CAS RN: 79353-39-2
CAS Name: 2-[(4Z,7Z,12E)-pentadeca-4,7,12-trien-2-yl]phenol
OPENEYE Name: 2-[(3Z,6Z,11E)-1-methyltetradeca-3,6,11-trienyl]phenol
IUPAC Name: 2-[(4Z,7Z,12E)-pentadeca-4,7,12-trien-2-yl]phenol
SYSTEMATIC NAME: 2-[(4Z,7Z,12E)-pentadeca-4,7,12-trien-2-yl]phenol
MOLECULAR FORMULA: C21H30O
MOLECULAR WEIGHT: 298.4623
SMILES: CC/C=C/CCC/C=C\C/C=C\CC(C)C1=CC=CC=C1O
Structure:
CAS RN: 79302-84-4
CAS Name: 3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(E)-1-cyano-2-methylpent-2-enyl] ester
OPENEYE Name: [(E)-1-cyano-2-methyl-pent-2-enyl] 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(E)-1-cyano-2-methylpent-2-enyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(E)-1-cyano-2-methyl-pent-2-enyl] 3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C15H19Cl2NO2
MOLECULAR WEIGHT: 316.22286
SMILES: CC/C=C(\C)/C(C#N)OC(=O)C1C(C1(C)C)C=C(Cl)Cl
Structure:
CAS RN: 79298-93-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N3O4
MOLECULAR WEIGHT: 437.53134
SMILES: C1CCNC(=O)/C=C/C2=CC3=C(C=C2)OC4C3(CCC(=O)C4)/C=C/C(=O)NCCCNC1
Structure:
CAS RN: 79296-91-6
CAS Name: (1E,3Z,6E,10Z,14S)-3,7,11-trimethyl-14-(1-methylethenyl)cyclotetradeca-1,3,6,10-tetraene
OPENEYE Name: (1E,3Z,6E,10Z,14S)-14-isopropenyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene
IUPAC Name: (1E,3Z,6E,10Z,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-1,3,6,10-tetraene
SYSTEMATIC NAME: (1E,3Z,6E,10Z,14S)-3,7,11-trimethyl-14-prop-1-en-2-yl-cyclotetradeca-1,3,6,10-tetraene
MOLECULAR FORMULA: C20H30
MOLECULAR WEIGHT: 270.4522
SMILES: C/C/1=C/CC/C(=C/C/C=C(\C=C\[C@H](CC1)C(=C)C)/C)/C
Structure:
CAS RN: 79295-49-1
CAS Name: 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-2-benzofuranyl]benzene-1,3-diol
OPENEYE Name: 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-benzofuran-2-yl]benzene-1,3-diol
IUPAC Name: 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol
SYSTEMATIC NAME: 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol
MOLECULAR FORMULA: C25H28O4
MOLECULAR WEIGHT: 392.48742
SMILES: CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)OC)/C)C
Structure:
CAS RN: 79256-84-1
CAS Name: (Z)-2-methyl-2-butenoic acid [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] ester
OPENEYE Name: [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,3aS,7R,8R,8aR,9aR)-1,5,8-trimethyl-8-oxidanyl-2,4-bis(oxidanylidene)-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC2=C(C(=O)[C@@H]3[C@H](C[C@H]2[C@@]1(C)O)[C@@H](C(=O)O3)C)C
Structure:
CAS RN: 79236-46-7
CAS Name: (E)-2-methyl-2-butenoic acid [(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] ester
OPENEYE Name: [(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,3aS,5aR,7R,8R,8aR,9aR)-1,5,8-trimethyl-8-oxidanyl-2-oxidanylidene-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]2[C@H]([C@@]1(C)O)C[C@@H]3[C@@H](C(=O)O[C@@H]3C=C2C)C
Structure:
CAS RN: 79236-43-4
CAS Name: (E)-2-methyl-2-butenoic acid [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] ester
OPENEYE Name: [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1S,3aS,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2,4-dioxo-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,3aS,7R,8R,8aR,9aR)-1,5,8-trimethyl-8-oxidanyl-2,4-bis(oxidanylidene)-3a,6,7,8a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC2=C(C(=O)[C@@H]3[C@H](C[C@H]2[C@@]1(C)O)[C@@H](C(=O)O3)C)C
Structure:
CAS RN: 79214-54-3
CAS Name: 5-methoxy-2-[5-[(E)-prop-1-enyl]-2-benzofuranyl]phenol
OPENEYE Name: 5-methoxy-2-[5-[(E)-prop-1-enyl]benzofuran-2-yl]phenol
IUPAC Name: 5-methoxy-2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
SYSTEMATIC NAME: 5-methoxy-2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)OC)O
Structure:
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