CAS RN: 98618-05-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H41N5O5
MOLECULAR WEIGHT: 587.70914
SMILES: CC(C)CC1C(=O)N/C=C/C2=C(C=CC(=C2)OC3C(CCN3C(=O)C(CC4=CNC5=CC=CC=C54)N(C)C)C(=O)N1)OC
Structure:
CAS RN: 98496-36-7
CAS Name: acetic acid [(3R,3aS,5Z,9Z,11S,12aR)-6,10,12a-trimethyl-3-(1-methylethenyl)-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-11-yl] ester
OPENEYE Name: [(3R,3aS,5Z,9Z,11S,12aR)-3-isopropenyl-6,10,12a-trimethyl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-11-yl] acetate
IUPAC Name: [(3R,3aS,5Z,9Z,11S,12aR)-6,10,12a-trimethyl-3-prop-1-en-2-yl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-11-yl] acetate
SYSTEMATIC NAME: [(3R,3aS,5Z,9Z,11S,12aR)-6,10,12a-trimethyl-3-prop-1-en-2-yl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-11-yl] ethanoate
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: C/C/1=C/C[C@H]2[C@@H](CC[C@@]2(C[C@@H](/C(=C\CC1)/C)OC(=O)C)C)C(=C)C
Structure:
CAS RN: 98496-35-6
CAS Name: acetic acid [(3R,3aS,5Z,9E,12aR)-6,12a-dimethyl-3-(1-methylethenyl)-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-10-yl]methyl ester
OPENEYE Name: [(3R,3aS,5Z,9E,12aR)-3-isopropenyl-6,12a-dimethyl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-10-yl]methyl acetate
IUPAC Name: [(3R,3aS,5Z,9E,12aR)-6,12a-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-10-yl]methyl acetate
SYSTEMATIC NAME: [(3R,3aS,5Z,9E,12aR)-6,12a-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,7,8,11,12-octahydro-1H-cyclopenta[11]annulen-10-yl]methyl ethanoate
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: C/C/1=C/C[C@H]2[C@@H](CC[C@@]2(CC/C(=C\CC1)/COC(=O)C)C)C(=C)C
Structure:
CAS RN: 98444-62-3
CAS Name: (1R,3S)-3-[(Z)-3-butoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(S)-cyano-(4-fluoro-3-phenoxy-phenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(S)-cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C27H28FNO5
MOLECULAR WEIGHT: 465.513323
SMILES: CCCCOC(=O)/C=C\[C@H]1[C@H](C1(C)C)C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3
Structure:
CAS RN: 97588-64-2
CAS Name: (Z)-7-[(1S,5Z)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-1-cyclopent-2-enyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,5Z)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,5Z)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,5Z)-4-oxidanylidene-5-[(3S)-3-oxidanyloctylidene]cyclopent-2-en-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 97564-96-0
CAS Name: 3-[4-[(E)-4-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-hydroxybutyl]-4-hydroxy-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-2-methyl-7-(1-oxohexadecoxy)-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2
OPENEYE Name: 3-[4-[(E)-3-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-hydroxy-butyl]-4-hydroxy-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-7-hexadecanoyloxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-e
IUPAC Name: 3-[4-[(E)-4-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hexadecanoyloxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2
SYSTEMATIC NAME: 3-[4-[(E)-4-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hexadecanoyloxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-y
MOLECULAR FORMULA: C61H100O14
MOLECULAR WEIGHT: 1057.4383
SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC(OC12C=C(CC(O2)C(C)/C=C/C3CCC4(O3)CCC5C(O4)C(C(=C)C(O5)C(CC(C)C6C(CCC7(O6)C(CCCO7)C)C)O)O)C)CC(C)(C(=O)O)O
Structure:
CAS RN: 97529-83-4
CAS Name: (E)-2-methyl-2-butenoic acid [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] ester
OPENEYE Name: [(2S,3S)-2-[(Z)-4-hydroxy-3-oxo-pent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(2S,3S)-2-[(Z)-4-hydroxy-3-oxopent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(2S,3S)-6-oxidanylidene-2-[(Z)-4-oxidanyl-3-oxidanylidene-pent-1-enyl]-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C\C(=O)C(C)O
Structure:
CAS RN: 94120-02-2
CAS Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-2-oxolanyl]-2-methyl-2-propenal
OPENEYE Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-prop-2-enal
IUPAC Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-2-methyl-3-[(2S,3R,4R,5R)-2,4,5-trimethyl-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enal
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=O)O)(C)O
Structure:
CAS RN: 97514-85-7
CAS Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-2-oxolanyl]-2-methyl-2-propenal
OPENEYE Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-prop-2-enal
IUPAC Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-2-methyl-3-[(2S,3R,4R,5R)-2,4,5-trimethyl-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enal
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=O)O)(C)O
Structure:
CAS RN: 98095-71-7
CAS Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-2-oxolanyl]-2-methyl-2-propenal
OPENEYE Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-2-methyl-prop-2-enal
IUPAC Name: (E)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-2-methyl-3-[(2S,3R,4R,5R)-2,4,5-trimethyl-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enal
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=O)O)(C)O
Structure:
CAS RN: 97039-14-0
CAS Name: 3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4,5-dihydroisoxazole
OPENEYE Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]-4,5-dihydroisoxazole
IUPAC Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C9H8N2O4
MOLECULAR WEIGHT: 208.17082
SMILES: C1CON=C1/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 97047-95-5
CAS Name: 3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4,5-dihydroisoxazole
OPENEYE Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]-4,5-dihydroisoxazole
IUPAC Name: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: 3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C9H8N2O4
MOLECULAR WEIGHT: 208.17082
SMILES: C1CON=C1/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 96502-30-6
CAS Name: 2,4-dichlorobenzoic acid [(E)-4-[(1R,2S)-2-hydroxycyclohexyl]-2-methylbut-2-enyl] ester
OPENEYE Name: [(E)-4-[(1R,2S)-2-hydroxycyclohexyl]-2-methyl-but-2-enyl] 2,4-dichlorobenzoate
IUPAC Name: [(E)-4-[(1R,2S)-2-hydroxycyclohexyl]-2-methylbut-2-enyl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [(E)-2-methyl-4-[(1R,2S)-2-oxidanylcyclohexyl]but-2-enyl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C18H22Cl2O3
MOLECULAR WEIGHT: 357.27148
SMILES: C/C(=C\C[C@H]1CCCC[C@@H]1O)/COC(=O)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 96443-55-9
CAS Name: (3Z,5S,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
OPENEYE Name: (3Z,5S,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
IUPAC Name: (3Z,5S,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
SYSTEMATIC NAME: (3Z,5S,6S,12R)-12-methyl-5,6-bis(oxidanyl)-1-oxacyclododec-3-en-2-one
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: C[C@@H]1CCCCC[C@@H]([C@H](/C=C\C(=O)O1)O)O
Structure:
CAS RN: 96283-44-2
CAS Name: (5R,6E,8E,10E,12S)-5,12-dihydroxyeicosa-6,8,10-trienoic acid
OPENEYE Name: (5R,6E,8E,10E,12S)-5,12-dihydroxyicosa-6,8,10-trienoic acid
IUPAC Name: (5R,6E,8E,10E,12S)-5,12-dihydroxyicosa-6,8,10-trienoic acid
SYSTEMATIC NAME: (5R,6E,8E,10E,12S)-5,12-bis(oxidanyl)icosa-6,8,10-trienoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCCCCC[C@@H](/C=C/C=C/C=C/[C@@H](CCCC(=O)O)O)O
Structure:
CAS RN: 96253-60-0
CAS Name: 2-[(E)-4-[(4aS,7aS)-4a,5',5',7a-tetramethyl-3-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,2'-furan]yl]-3-methylbut-2-enyl]-4-methoxy-6-methylphenol
OPENEYE Name: 2-[(E)-4-[(4aS,7aS)-4a,5',5',7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,2'-furan]-3-yl]-3-methyl-but-2-enyl]-4-methoxy-6-methyl-phenol
IUPAC Name: 2-[(E)-4-[(4aS,7aS)-4a,5',5',7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,2'-furan]-3-yl]-3-methylbut-2-enyl]-4-methoxy-6-methylphenol
SYSTEMATIC NAME: 2-[(E)-4-[(4aS,7aS)-4a,5',5',7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,2'-furan]-3-yl]-3-methyl-but-2-enyl]-4-methoxy-6-methyl-phenol
MOLECULAR FORMULA: C28H38O4
MOLECULAR WEIGHT: 438.59892
SMILES: CC1=CC(=CC(=C1O)C/C=C(\C)/CC2=C[C@@]3(CCC[C@@]3(C4(O2)C=CC(O4)(C)C)C)C)OC
Structure:
CAS RN: 96108-88-2
CAS Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3,7-dimethyloct-6-enyl)imidazole
OPENEYE Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3,7-dimethyloct-6-enyl)imidazole
IUPAC Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3,7-dimethyloct-6-enyl)imidazole
SYSTEMATIC NAME: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3,7-dimethyloct-6-enyl)imidazole
MOLECULAR FORMULA: C22H36N2
MOLECULAR WEIGHT: 328.53464
SMILES: CC(CCC=C(C)C)CCN1C=NC=C1/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 95636-02-5
CAS Name: (E)-8-methyl-6-nonenoyl chloride
OPENEYE Name: (E)-8-methylnon-6-enoyl chloride
IUPAC Name: (E)-8-methylnon-6-enoyl chloride
SYSTEMATIC NAME: (E)-8-methylnon-6-enoyl chloride
MOLECULAR FORMULA: C10H17ClO
MOLECULAR WEIGHT: 188.69438
SMILES: CC(C)/C=C/CCCCC(=O)Cl
Structure:
CAS RN: 94796-73-3
CAS Name: (3Z)-1,1,2,4-tetrachlorobuta-1,3-diene
OPENEYE Name: (3Z)-1,1,2,4-tetrachlorobuta-1,3-diene
IUPAC Name: (3Z)-1,1,2,4-tetrachlorobuta-1,3-diene
SYSTEMATIC NAME: (3Z)-1,1,2,4-tetrakis(chloranyl)buta-1,3-diene
MOLECULAR FORMULA: C4H2Cl4
MOLECULAR WEIGHT: 191.87068
SMILES: C(=C\Cl)\C(=C(Cl)Cl)Cl
Structure:
CAS RN: 94751-34-5
CAS Name: 2-[(E)-heptadec-5-enyl]benzene-1,3-diol
OPENEYE Name: 2-[(E)-heptadec-5-enyl]benzene-1,3-diol
IUPAC Name: 2-[(E)-heptadec-5-enyl]benzene-1,3-diol
SYSTEMATIC NAME: 2-[(E)-heptadec-5-enyl]benzene-1,3-diol
MOLECULAR FORMULA: C23H38O2
MOLECULAR WEIGHT: 346.54662
SMILES: CCCCCCCCCCC/C=C/CCCCC1=C(C=CC=C1O)O
Structure:
CAS RN: 94492-21-4
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-ethoxy-5-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-ethoxy-2-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C31H40O15
MOLECULAR WEIGHT: 652.6403
SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 143538-27-6
CAS Name: 4-[[(Z,3S)-1-carboxy-6-[4-(4-phenoxybutoxy)phenyl]hex-4-en-3-yl]thio]benzoic acid
OPENEYE Name: 4-[(Z,1S)-1-(2-carboxyethyl)-4-[4-(4-phenoxybutoxy)phenyl]but-2-enyl]sulfanylbenzoic acid
IUPAC Name: 4-[(Z,3S)-1-carboxy-6-[4-(4-phenoxybutoxy)phenyl]hex-4-en-3-yl]sulfanylbenzoic acid
SYSTEMATIC NAME: 4-[(Z,4S)-7-oxidanyl-7-oxidanylidene-1-[4-(4-phenoxybutoxy)phenyl]hept-2-en-4-yl]sulfanylbenzoic acid
MOLECULAR FORMULA: C30H32O6S
MOLECULAR WEIGHT: 520.63648
SMILES: C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C/C=C\[C@H](CCC(=O)O)SC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 143484-41-7
CAS Name: [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-1-isobenzofuranylidene)ethoxy]-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium bromide
OPENEYE Name: [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-isobenzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium bromide
IUPAC Name: [(2R)-4-[(2Z)-2-(6-chloro-3-oxo-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium bromide
SYSTEMATIC NAME: [(2R)-4-[(2Z)-2-(6-chloranyl-3-oxidanylidene-2-benzofuran-1-ylidene)ethoxy]-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium bromide
MOLECULAR FORMULA: C22H29BrClNO6
MOLECULAR WEIGHT: 518.82576
SMILES: CC(C)CC(=O)O[C@H](CC(=O)OC/C=C\1/C2=C(C=CC(=C2)Cl)C(=O)O1)C[N+](C)(C)C.[Br-]
Structure:
CAS RN: 141752-51-4
CAS Name: (E)-2-hexadecenamide
OPENEYE Name: (E)-hexadec-2-enamide
IUPAC Name: (E)-hexadec-2-enamide
SYSTEMATIC NAME: (E)-hexadec-2-enamide
MOLECULAR FORMULA: C16H31NO
MOLECULAR WEIGHT: 253.42344
SMILES: CCCCCCCCCCCCC/C=C/C(=O)N
Structure:
CAS RN: 141686-03-5
CAS Name: 4-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
OPENEYE Name: 4-[(E)-2-(3-bromophenyl)vinyl]-1-methyl-3,6-dihydro-2H-pyridine
IUPAC Name: 4-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 4-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C14H16BrN
MOLECULAR WEIGHT: 278.18754
SMILES: CN1CCC(=CC1)/C=C/C2=CC(=CC=C2)Br
Structure:
CAS RN: 141545-69-9
CAS Name: 2-hydroxybenzoic acid [(9Z,15E)-heptadeca-9,15-dien-7-yl] ester
OPENEYE Name: [(3Z,9E)-1-hexylundeca-3,9-dienyl] 2-hydroxybenzoate
IUPAC Name: [(9Z,15E)-heptadeca-9,15-dien-7-yl] 2-hydroxybenzoate
SYSTEMATIC NAME: [(9Z,15E)-heptadeca-9,15-dien-7-yl] 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36O3
MOLECULAR WEIGHT: 372.54084
SMILES: CCCCCCC(C/C=C\CCCC/C=C/C)OC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 72429-66-4
CAS Name: 2-hydroxybenzoic acid [(9Z,15E)-heptadeca-9,15-dien-7-yl] ester
OPENEYE Name: [(3Z,9E)-1-hexylundeca-3,9-dienyl] 2-hydroxybenzoate
IUPAC Name: [(9Z,15E)-heptadeca-9,15-dien-7-yl] 2-hydroxybenzoate
SYSTEMATIC NAME: [(9Z,15E)-heptadeca-9,15-dien-7-yl] 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H36O3
MOLECULAR WEIGHT: 372.54084
SMILES: CCCCCCC(C/C=C\CCCC/C=C/C)OC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 141482-25-9
CAS Name: (Z)-9-octadecenoic acid [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (Z)-octadec-9-enoate
IUPAC Name: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C27H43FN2O6
MOLECULAR WEIGHT: 510.638523
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O
Structure:
CAS RN: 141456-07-7
CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid bis[(E)-1-oxooctadec-9-enyl] ester
OPENEYE Name: bis[(E)-octadec-9-enoyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
IUPAC Name: bis[(E)-octadec-9-enoyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: bis[(E)-octadec-9-enoyl] 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C56H86N8O7
MOLECULAR WEIGHT: 983.33144
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCC(C(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 140375-37-7
CAS Name: (3Z,5S,5aR)-5-hydroxy-3-(hydroxymethylidene)-5a-methyl-8-(1-oxohexyl)-5-[(E)-prop-1-enyl]-4H-furo[2,3-e]benzofuran-2,7-dione
OPENEYE Name: (3Z,5S,5aR)-8-hexanoyl-5-hydroxy-3-(hydroxymethylene)-5a-methyl-5-[(E)-prop-1-enyl]-4H-furo[2,3-e]benzofuran-2,7-dione
IUPAC Name: (3Z,5S,5aR)-8-hexanoyl-5-hydroxy-3-(hydroxymethylidene)-5a-methyl-5-[(E)-prop-1-enyl]-4H-furo[2,3-e][1]benzofuran-2,7-dione
SYSTEMATIC NAME: (3Z,5S,5aR)-8-hexanoyl-5a-methyl-5-oxidanyl-3-(oxidanylmethylidene)-5-[(E)-prop-1-enyl]-4H-furo[2,3-e][1]benzofuran-2,7-dione
MOLECULAR FORMULA: C21H24O7
MOLECULAR WEIGHT: 388.41106
SMILES: CCCCCC(=O)C1=C2C3=C(C[C@@]([C@@]2(OC1=O)C)(/C=C/C)O)/C(=C/O)/C(=O)O3
Structure:
CAS RN: 138876-05-8
CAS Name: (Z)-2-chloro-18-hydroxy-2-octadecenoic acid methyl ester
OPENEYE Name: methyl (Z)-2-chloro-18-hydroxy-octadec-2-enoate
IUPAC Name: methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate
SYSTEMATIC NAME: methyl (Z)-2-chloranyl-18-oxidanyl-octadec-2-enoate
MOLECULAR FORMULA: C19H35ClO3
MOLECULAR WEIGHT: 346.9324
SMILES: COC(=O)/C(=C/CCCCCCCCCCCCCCCO)/Cl
Structure:
CAS RN: 138834-43-2
CAS Name: (Z)-2-chloro-18-hydroxy-2-octadecenoic acid
OPENEYE Name: (Z)-2-chloro-18-hydroxy-octadec-2-enoic acid
IUPAC Name: (Z)-2-chloro-18-hydroxyoctadec-2-enoic acid
SYSTEMATIC NAME: (Z)-2-chloranyl-18-oxidanyl-octadec-2-enoic acid
MOLECULAR FORMULA: C18H33ClO3
MOLECULAR WEIGHT: 332.90582
SMILES: C(CCCCCCC/C=C(/C(=O)O)\Cl)CCCCCCCO
Structure:
CAS RN: 138834-42-1
CAS Name: (E)-12,13-dichloro-9-octadecenoic acid methyl ester
OPENEYE Name: methyl (E)-12,13-dichlorooctadec-9-enoate
IUPAC Name: methyl (E)-12,13-dichlorooctadec-9-enoate
SYSTEMATIC NAME: methyl (E)-12,13-bis(chloranyl)octadec-9-enoate
MOLECULAR FORMULA: C19H34Cl2O2
MOLECULAR WEIGHT: 365.37806
SMILES: CCCCCC(C(C/C=C/CCCCCCCC(=O)OC)Cl)Cl
Structure:
CAS RN: 138834-41-0
CAS Name: (E)-9,10-dichloro-12-octadecenoic acid methyl ester
OPENEYE Name: methyl (E)-9,10-dichlorooctadec-12-enoate
IUPAC Name: methyl (E)-9,10-dichlorooctadec-12-enoate
SYSTEMATIC NAME: methyl (E)-9,10-bis(chloranyl)octadec-12-enoate
MOLECULAR FORMULA: C19H34Cl2O2
MOLECULAR WEIGHT: 365.37806
SMILES: CCCCC/C=C/CC(C(CCCCCCCC(=O)OC)Cl)Cl
Structure:
CAS RN: 138580-66-2
CAS Name: (E)-2-methyl-2-butenoic acid [(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methyl-1-oxobut-2-enoxy]-1,3,5,5a,7,8,9,9b-octahydrobenzo[e]isobenzofuran-8-yl] ester
OPENEYE Name: [(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e]isobenzofuran-8-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,5aR,7R,8R,9aS,9bR)-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1-oxidanyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C25H36O6
MOLECULAR WEIGHT: 432.54974
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@]2([C@@H](CC=C3[C@@H]2[C@@H](OC3)O)C([C@H]1OC(=O)/C(=C/C)/C)(C)C)C
Structure:
CAS RN: 138353-27-2
CAS Name: 2-[(E)-2-(2,5-dibromo-3-methyl-4-imidazolyl)ethenyl]-6-methylpyrazine
OPENEYE Name: 2-[(E)-2-(2,5-dibromo-3-methyl-imidazol-4-yl)vinyl]-6-methyl-pyrazine
IUPAC Name: 2-[(E)-2-(2,5-dibromo-3-methylimidazol-4-yl)ethenyl]-6-methylpyrazine
SYSTEMATIC NAME: 2-[(E)-2-[2,5-bis(bromanyl)-3-methyl-imidazol-4-yl]ethenyl]-6-methyl-pyrazine
MOLECULAR FORMULA: C11H10Br2N4
MOLECULAR WEIGHT: 358.0319
SMILES: CC1=NC(=CN=C1)/C=C/C2=C(N=C(N2C)Br)Br
Structure:
CAS RN: 138336-06-8
CAS Name: 2-[(Z)-2-[5-bromo-3-methyl-2-(methylthio)-4-imidazolyl]prop-1-enyl]-6-methylpyrazine
OPENEYE Name: 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)prop-1-enyl]-6-methyl-pyrazine
IUPAC Name: 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)prop-1-enyl]-6-methylpyrazine
SYSTEMATIC NAME: 2-[(Z)-2-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)prop-1-enyl]-6-methyl-pyrazine
MOLECULAR FORMULA: C13H15BrN4S
MOLECULAR WEIGHT: 339.254
SMILES: CC1=NC(=CN=C1)/C=C(/C)\C2=C(N=C(N2C)SC)Br
Structure:
No comments:
Post a Comment