CAS RN: 23047-11-2
CAS Name: disodium (E)-6-(6-methoxy-7-methyl-4-oxido-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate
OPENEYE Name: disodium (E)-6-(6-methoxy-7-methyl-4-oxido-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
IUPAC Name: disodium (E)-6-(6-methoxy-7-methyl-4-oxido-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
SYSTEMATIC NAME: disodium (E)-6-(6-methoxy-7-methyl-4-oxidanidyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
MOLECULAR FORMULA: C17H18Na2O6
MOLECULAR WEIGHT: 364.30076
SMILES: CC1=C(C(=C(C2=C1COC2=O)[O-])C/C=C(\C)/CCC(=O)[O-])OC.[Na+].[Na+]
Structure:
CAS RN: 17471-59-9
CAS Name: (E)-N,N,N',N'-tetramethyl-1-propene-1,3-diamine
OPENEYE Name: (E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
IUPAC Name: (E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
SYSTEMATIC NAME: (E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN(C)C/C=C/N(C)C
Structure:
CAS RN: 16891-54-6
CAS Name: 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-one
OPENEYE Name: 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-one
IUPAC Name: 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2,3-dimethoxy-6-[(2E,5E,7E,9R,10R,11E)-10-methoxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C26H39NO4
MOLECULAR WEIGHT: 429.59216
SMILES: C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)OC
Structure:
CAS RN: 15763-48-1
CAS Name: (2E)-3-heptyl-2-[(3-heptyl-4-methyl-2-thiazol-3-iumyl)methylidene]-4-methylthiazole iodide
OPENEYE Name: (2E)-3-heptyl-2-[(3-heptyl-4-methyl-thiazol-3-ium-2-yl)methylene]-4-methyl-thiazole iodide
IUPAC Name: (2E)-3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazole iodide
SYSTEMATIC NAME: (2E)-3-heptyl-2-[(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-4-methyl-1,3-thiazole iodide
MOLECULAR FORMULA: C23H39IN2S2
MOLECULAR WEIGHT: 534.60363
SMILES: CCCCCCCN\1C(=CS/C1=C/C2=[N+](C(=CS2)C)CCCCCCC)C.[I-]
Structure:
CAS RN: 13929-37-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H60N2O13
MOLECULAR WEIGHT: 836.9635
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N5CCCCCC5)\C
Structure:
CAS RN: 13292-43-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H55N3O13
MOLECULAR WEIGHT: 809.8984
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCOCC5)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 11055-06-4
CAS Name: 3-[(6S)-6-[(E,4S,6R)-4,6-dimethyloct-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-1-methyl-5-[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxycyclopentyl]-4-pyridinone
OPENEYE Name: 2-hydroxy-1-methyl-3-[(6S)-5-methyl-6-[(E,3S,5R)-1,3,5-trimethylhept-1-enyl]-3,6-dihydro-2H-pyran-2-yl]-5-[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxycyclopentyl]pyridin-4-one
IUPAC Name: 3-[(6S)-6-[(E,4S,6R)-4,6-dimethyloct-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-1-methyl-5-[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxycyclopentyl]pyridin-4-one
SYSTEMATIC NAME: 3-[(6S)-6-[(E,4S,6R)-4,6-dimethyloct-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran-2-yl]-1-methyl-2-oxidanyl-5-[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)cyclopentyl]pyridin-4-one
MOLECULAR FORMULA: C27H41NO7
MOLECULAR WEIGHT: 491.61694
SMILES: CC[C@@H](C)C[C@H](C)/C=C(\C)/[C@@H]1C(=CCC(O1)C2=C(N(C=C(C2=O)C3[C@H]([C@@H]([C@@H]([C@@H]3O)O)O)O)C)O)C
Structure:
CAS RN: 11054-16-3
CAS Name: acetic acid [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] ester
OPENEYE Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
IUPAC Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
SYSTEMATIC NAME: [(1S,4R,5Z,7R,8S,9S)-6,10,10-trimethyl-2-methylidene-7,8-bis(oxidanyl)-3-oxidanylidene-4-bicyclo[7.2.0]undec-5-enyl] ethanoate
MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: C/C/1=C/[C@H](C(=O)C(=C)[C@H]2CC([C@H]2[C@@H]([C@@H]1O)O)(C)C)OC(=O)C
Structure:
CAS RN: 11054-63-0
CAS Name: acetic acid [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] ester
OPENEYE Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
IUPAC Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
SYSTEMATIC NAME: [(1S,4R,5Z,7R,8S,9S)-6,10,10-trimethyl-2-methylidene-7,8-bis(oxidanyl)-3-oxidanylidene-4-bicyclo[7.2.0]undec-5-enyl] ethanoate
MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: C/C/1=C/[C@H](C(=O)C(=C)[C@H]2CC([C@H]2[C@@H]([C@@H]1O)O)(C)C)OC(=O)C
Structure:
CAS RN: 11049-05-1
CAS Name: 2-[(11Z,13E)-15-[(4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl)oxymethyl]-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
OPENEYE Name: 2-[(11Z,13E)-15-[(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
IUPAC Name: 2-[(11Z,13E)-15-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(11Z,13E)-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-15-[[3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
MOLECULAR FORMULA: C38H63NO14
MOLECULAR WEIGHT: 757.90512
SMILES: CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)\C)COC3C(C(C(C(O3)C)O)O)OC
Structure:
CAS RN: 11028-14-1
CAS Name: 3-[(E)-7-hydroperoxydioxyhept-5-enoxy]-14-hydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: 3-[(E)-7-hydroperoxyperoxyhept-5-enoxy]-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: 3-[(E)-7-hydroperoxyperoxyhept-5-enoxy]-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: 3-[(E)-7-(dioxidanylperoxy)hept-5-enoxy]-13-methyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C31H44O9
MOLECULAR WEIGHT: 560.67566
SMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5C3(CCC(C5)OCCCC/C=C/COOOO)C=O
Structure:
CAS RN: 8065-81-4
CAS Name: 2-hexadecoxyethanol; 2-[(E)-octadec-9-enoxy]ethanol
OPENEYE Name: 2-hexadecoxyethanol; 2-[(E)-octadec-9-enoxy]ethanol
IUPAC Name: 2-hexadecoxyethanol; 2-[(E)-octadec-9-enoxy]ethanol
SYSTEMATIC NAME: 2-hexadecoxyethanol; 2-[(E)-octadec-9-enoxy]ethanol
MOLECULAR FORMULA: C38H78O4
MOLECULAR WEIGHT: 599.02352
SMILES: CCCCCCCCCCCCCCCCOCCO.CCCCCCCC/C=C/CCCCCCCCOCCO
Structure:
CAS RN: 6475-05-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: C/C=C\1/CN2CCC34[C@H]([C@H]1C[C@H]2C3=NC5=CC=CC=C45)C(=O)OC
Structure:
CAS RN: 2673-65-6
CAS Name: phosphoric acid [(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl ester
OPENEYE Name: [(E)-3-[hydroxymethyl(methyl)amino]-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
IUPAC Name: [(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-4-[hydroxymethyl(methyl)amino]-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C8H16NO6P
MOLECULAR WEIGHT: 253.189501
SMILES: C/C(=C\C(=O)N(C)CO)/OP(=O)(OC)OC
Structure:
CAS RN: 1183-12-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H36O7
MOLECULAR WEIGHT: 544.63474
SMILES: CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=C[C@@H]5C[C@@H]6C4(O2)[C@@](C5=O)(OC6(C)C)C/C=C(/C)\C=O)C
Structure:
CAS RN: 163564-92-9
CAS Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]-2-oxanyl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
OPENEYE Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-3,5,7-trimethyl-undeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
IUPAC Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-3,5,7-trimethyl-11-[(2S,4R,5S,6S)-5-methyl-4-oxidanyl-6-[(E)-prop-1-enyl]oxan-2-yl]-11-oxidanyl-undeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C28H40O5
MOLECULAR WEIGHT: 456.6142
SMILES: C/C=C/[C@H]1[C@H]([C@@H](C[C@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@H]2CC=CC(=O)O2)O)O)C
Structure:
CAS RN: 190511-77-4
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[2-[3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-7-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyryliu
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-5-yl]oxy-3,4,5-trihydroxy-te
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)phenyl]-7-oxidanyl-chromenylium-5-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl
MOLECULAR FORMULA: C42H47O25+
MOLECULAR WEIGHT: 951.80758
SMILES: C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC4=[O+]C(=C(C=C34)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C(=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 189508-32-5
CAS Name: 4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[(Z,11R,12R)-11,12-dihydroxytriacont-15-enyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[(Z,11R,12R)-11,12-bis(oxidanyl)triacont-15-enyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C35H64O4
MOLECULAR WEIGHT: 548.88026
SMILES: CCCCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CCCCCCCCCCC1=CC(OC1=O)C)O)O
Structure:
CAS RN: 189508-31-4
CAS Name: 4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[(Z,13R,14R)-13,14-bis(oxidanyl)triacont-17-enyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C35H64O4
MOLECULAR WEIGHT: 548.88026
SMILES: CCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CCCCCCCCCCCCC1=CC(OC1=O)C)O)O
Structure:
CAS RN: 188605-15-4
CAS Name: (E)-2-butenoic acid [(2R,3S,4E,6R,7S)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] ester
OPENEYE Name: [(2R,3S,4E,6R,7S)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate
IUPAC Name: [(2R,3S,4E,6R,7S)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate
SYSTEMATIC NAME: [(2R,3S,4E,6R,7S)-2-methyl-6,7-bis(oxidanyl)-10-oxidanylidene-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate
MOLECULAR FORMULA: C14H20O6
MOLECULAR WEIGHT: 284.305
SMILES: C/C=C/C(=O)O[C@H]1/C=C/[C@H]([C@H](CCC(=O)O[C@@H]1C)O)O
Structure:
CAS RN: 174513-95-2
CAS Name: (2E,10E,12E)-20-[(3-carbamoyloxy-2-methyl-1-oxobutyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxoeicosa-2,10,12-trienoic acid
OPENEYE Name: (2E,10E,12E)-20-[(3-carbamoyloxy-2-methyl-butanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-icosa-2,10,12-trienoic acid
IUPAC Name: (2E,10E,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
SYSTEMATIC NAME: (2E,10E,12E)-20-[(3-aminocarbonyloxy-2-methyl-butanoyl)amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid
MOLECULAR FORMULA: C30H48N2O7
MOLECULAR WEIGHT: 548.71132
SMILES: CC(C/C=C/C=C/CCC(=C)CC(C)C/C(=C/C(=O)O)/C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O
Structure:
CAS RN: 170554-75-3
CAS Name: (2S)-3-[(1E)-13,13-dibromotrideca-1,12-dienyl]-2H-azirine-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S)-3-[(1E)-13,13-dibromotrideca-1,12-dienyl]-2H-azirine-2-carboxylate
IUPAC Name: methyl (2S)-3-[(1E)-13,13-dibromotrideca-1,12-dienyl]-2H-azirine-2-carboxylate
SYSTEMATIC NAME: methyl (2S)-3-[(1E)-13,13-bis(bromanyl)trideca-1,12-dienyl]-2H-azirine-2-carboxylate
MOLECULAR FORMULA: C17H25Br2NO2
MOLECULAR WEIGHT: 435.1939
SMILES: COC(=O)[C@@H]1C(=N1)/C=C/CCCCCCCCCC=C(Br)Br
Structure:
CAS RN: 164457-19-6
CAS Name: (2E,4E)-5-[(1R,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(trifluoromethyl)-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-[(1R,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-[(1R,6R)-1-hydroxy-2,6-dimethyl-4-oxo-6-(trifluoromethyl)cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-[(1R,6R)-2,6-dimethyl-1-oxidanyl-4-oxidanylidene-6-(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
MOLECULAR FORMULA: C15H17F3O4
MOLECULAR WEIGHT: 318.28829
SMILES: CC1=CC(=O)C[C@@]([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C(F)(F)F
Structure:
CAS RN: 160162-46-9
CAS Name: (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
OPENEYE Name: (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
IUPAC Name: (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
SYSTEMATIC NAME: (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioic acid
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: C/C(=C\C=C\C=C(\C=C\C(=O)O)/C)/C=C/C(=O)O
Structure:
CAS RN: 159934-16-4
CAS Name: 3-[(3E,7E)-4,8-dimethyl-10-[(1R,6R)-1,2,6-trimethyl-4-oxo-1-cyclohex-2-enyl]deca-3,7-dienyl]-2H-furan-5-one
OPENEYE Name: 3-[(3E,7E)-4,8-dimethyl-10-[(1R,6R)-1,2,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]deca-3,7-dienyl]-2H-furan-5-one
IUPAC Name: 3-[(3E,7E)-4,8-dimethyl-10-[(1R,6R)-1,2,6-trimethyl-4-oxocyclohex-2-en-1-yl]deca-3,7-dienyl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3E,7E)-4,8-dimethyl-10-[(1R,6R)-1,2,6-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl]deca-3,7-dienyl]-2H-furan-5-one
MOLECULAR FORMULA: C25H36O3
MOLECULAR WEIGHT: 384.55154
SMILES: C[C@@H]1CC(=O)C=C([C@]1(C)CC/C(=C/CC/C(=C/CCC2=CC(=O)OC2)/C)/C)C
Structure:
CAS RN: 159355-77-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H46N6O4
MOLECULAR WEIGHT: 794.93804
SMILES: CN1[C@H](C(=O)N2[C@H](C1=O)CC3([C@H]2NC4=CC=CC=C43)C56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5N(C8=CC=CC=C68)/C=C/C9=CC=CC=C9)CC1=CC=CC=C1)C)CC1=CC=CC=C1
Structure:
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