CAS RN: 110187-19-4
CAS Name: (8E,10E)-7,12-dioxooctadeca-8,10-dienoic acid
OPENEYE Name: (8E,10E)-7,12-dioxooctadeca-8,10-dienoic acid
IUPAC Name: (8E,10E)-7,12-dioxooctadeca-8,10-dienoic acid
SYSTEMATIC NAME: (8E,10E)-7,12-bis(oxidanylidene)octadeca-8,10-dienoic acid
MOLECULAR FORMULA: C18H28O4
MOLECULAR WEIGHT: 308.41252
SMILES: CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O
Structure:
CAS RN: 11006-66-9
CAS Name: (4E,7E,9Z,11Z,15E,17E,19E)-22-[(6E,8E,10E)-3,12-dihydroxy-13-[(4-hydroxy-3,5-dimethoxy-6-methyl-2-oxanyl)oxy]-4-methyl-5-oxotetradeca-6,8,10-trien-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
OPENEYE Name: (4E,7E,9Z,11Z,15E,17E,19E)-22-[(5E,7E,9E)-2,11-dihydroxy-12-(4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxy-1,3-dimethyl-4-oxo-trideca-5,7,9-trienyl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
IUPAC Name: (4E,7E,9Z,11Z,15E,17E,19E)-22-[(6E,8E,10E)-3,12-dihydroxy-13-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-4-methyl-5-oxotetradeca-6,8,10-trien-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione
SYSTEMATIC NAME: (4E,7E,9Z,11Z,15E,17E,19E)-22-[(6E,8E,10E)-13-(3,5-dimethoxy-6-methyl-4-oxidanyl-oxan-2-yl)oxy-4-methyl-3,12-bis(oxidanyl)-5-oxidanylidene-tetradeca-6,8,10-trien-2-yl]-5,8,12-trimethyl-6,14-bis(oxidanyl)-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-di
MOLECULAR FORMULA: C47H66O13
MOLECULAR WEIGHT: 839.01914
SMILES: CC1C(C(C(C(O1)OC(C)C(/C=C/C=C/C=C/C(=O)C(C)C(C(C)C2C/C=C/C=C/C=C/C(C(=O)/C(=C\C=C/C(=C/C(/C(=C/CC(=O)O2)/C)O)/C)/C)O)O)O)OC)O)OC
Structure:
CAS RN: 108866-14-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C57H92O34
MOLECULAR WEIGHT: 1321.31998
SMILES: C1CCC(C1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C/C(=C/CCCC(=O)O)/C3)O)O.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H
Structure:
CAS RN: 108073-65-0
CAS Name: 2-[(2E,5E,7E)-10-[[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]oxy]-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E)-3-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-[(E)-1-methylprop-1-enyl]tetrahydropyran-2-yl]oxy-deca-2,5,7-trienyl]-1H-pyridin-4-one
IUPAC Name: 2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]oxy-3-methyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(2E,5E,7E)-10-[(2R,3R,4S,5S,6R)-2-[(E)-but-2-en-2-yl]-6-(hydroxymethyl)-3,5-dimethyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C31H47NO9
MOLECULAR WEIGHT: 577.70618
SMILES: C/C=C(\C)/[C@@]1([C@]([C@H]([C@]([C@H](O1)CO)(C)O)O)(C)O)OCC/C=C/C=C/C/C(=C/CC2=C(C(=O)C(=C(N2)OC)OC)C)/C
Structure:
CAS RN: 10529-43-8
CAS Name: sulfuric acid [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-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)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-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)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-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)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl] hydrogen sulfate
MOLECULAR FORMULA: C27H44O4S
MOLECULAR WEIGHT: 464.70086
SMILES: C[C@H](CCCC(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:
CAS RN: 104653-86-3
CAS Name: N-[(E,3R,4R,5R,9R,10S,11S)-10-hydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-9-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylfor
OPENEYE Name: N-[(E,3R,4R,5R,9R,10S,11S)-10-hydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxo-dodec-1-enyl]-N-methyl-
IUPAC Name: N-[(E,3R,4R,5R,9R,10S,11S)-10-hydroxy-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylfor
SYSTEMATIC NAME: N-[(E,3R,4R,5R,9R,10S,11S)-4-methoxy-3,5,9-trimethyl-10-oxidanyl-6-oxidanylidene-11-[(1S,3S,5S,7R,8S,12Z,14Z,17S,19R)-3,5,7-trimethoxy-8,14-dimethyl-17-oxidanyl-11-oxidanylidene-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]do
MOLECULAR FORMULA: C45H73NO12
MOLECULAR WEIGHT: 820.06062
SMILES: C[C@H]1[C@@H](C[C@@H](C2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(\C=C/C(=O)OC1[C@@H](C)[C@H]([C@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)/C)O)OC)OC)OC
Structure:
CAS RN: 152784-11-7
CAS Name: (2S,4S,5R,6R)-5-amino-2-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-[(E)-2-amino-3-hydroxyeicos-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-5-[[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxym
OPENEYE Name: (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E)-2-amino-3-hydroxy-icos-4-e
IUPAC Name: (2S,4S,5R,6R)-5-amino-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E)-2-amino-3-hydroxyicos-4-enoxy]-4,5-dihydroxy-2-(h
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-azanyl-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-6-[(E)-2-azanyl-3-oxidanyl-icos-4-enoxy]-2-(hydr
MOLECULAR FORMULA: C53H97N3O28
MOLECULAR WEIGHT: 1224.34058
SMILES: CCCCCCCCCCCCCCC/C=C/C(C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)N)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)C(C(CO)O)O)N)O)C(=O)O)O)O)O)N)O
Structure:
CAS RN: 88130-78-3
CAS Name: 2-[(E,5R,6R,7R,8R)-5,7-dihydroxy-8-[6-[(2R,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxo-2-pyranyl]-4,6-dimethylnon-3-en-2-yl]-6-ethyl-3,5-dimethyl-4-pyranone
OPENEYE Name: 2-[(E,4R,5R,6R,7R)-4,6-dihydroxy-7-[6-[(1R,2S)-2-hydroxy-1-methyl-butyl]-3,5-dimethyl-4-oxo-pyran-2-yl]-1,3,5-trimethyl-oct-2-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one
IUPAC Name: 2-[(E,5R,6R,7R,8R)-5,7-dihydroxy-8-[6-[(2R,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl]-4,6-dimethylnon-3-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one
SYSTEMATIC NAME: 2-[(E,5R,6R,7R,8R)-8-[3,5-dimethyl-4-oxidanylidene-6-[(2R,3S)-3-oxidanylpentan-2-yl]pyran-2-yl]-4,6-dimethyl-5,7-bis(oxidanyl)non-3-en-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one
MOLECULAR FORMULA: C32H48O7
MOLECULAR WEIGHT: 544.71932
SMILES: CCC1=C(C(=O)C(=C(O1)C(C)/C=C(\C)/[C@@H]([C@H](C)[C@H]([C@@H](C)C2=C(C(=O)C(=C(O2)[C@H](C)[C@H](CC)O)C)C)O)O)C)C
Structure:
CAS RN: 88125-07-9
CAS Name: (E,2S)-2-[(5R)-5-ethenyl-5-methyl-2-oxolanyl]-6-hydroperoxy-6-methyl-4-hepten-3-one
OPENEYE Name: (E,2S)-6-hydroperoxy-6-methyl-2-[(5R)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-4-en-3-one
IUPAC Name: (E,2S)-2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one
SYSTEMATIC NAME: (E,2S)-6-(dioxidanyl)-2-[(5R)-5-ethenyl-5-methyl-oxolan-2-yl]-6-methyl-hept-4-en-3-one
MOLECULAR FORMULA: C15H24O4
MOLECULAR WEIGHT: 268.34866
SMILES: C[C@@H](C1CC[C@](O1)(C)C=C)C(=O)/C=C/C(C)(C)OO
Structure:
CAS RN: 87979-85-9
CAS Name: 2-[2-hydroxy-5-[(E)-prop-1-enyl]phenyl]-4-[(E)-prop-1-enyl]phenol
OPENEYE Name: 2-[2-hydroxy-5-[(E)-prop-1-enyl]phenyl]-4-[(E)-prop-1-enyl]phenol
IUPAC Name: 2-[2-hydroxy-5-[(E)-prop-1-enyl]phenyl]-4-[(E)-prop-1-enyl]phenol
SYSTEMATIC NAME: 2-[2-oxidanyl-5-[(E)-prop-1-enyl]phenyl]-4-[(E)-prop-1-enyl]phenol
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: C/C=C/C1=CC(=C(C=C1)O)C2=C(C=CC(=C2)/C=C/C)O
Structure:
CAS RN: 87764-51-0
CAS Name: (2S)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)/C=C(\C)/N[C@@H](CC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 87688-14-0
CAS Name: 6,8-dimethoxy-7-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienoxy]-1-benzopyran-2-one
OPENEYE Name: 6,8-dimethoxy-7-[(2E,6E)-3,7,11-trimethyl-10-oxo-dodeca-2,6-dienoxy]chromen-2-one
IUPAC Name: 6,8-dimethoxy-7-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienoxy]chromen-2-one
SYSTEMATIC NAME: 6,8-dimethoxy-7-[(2E,6E)-3,7,11-trimethyl-10-oxidanylidene-dodeca-2,6-dienoxy]chromen-2-one
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC(C)C(=O)CC/C(=C/CC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)/C)/C
Structure:
CAS RN: 87688-13-9
CAS Name: 7-[(2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethylnona-2,6-dienoxy]-6,8-dimethoxy-1-benzopyran-2-one
OPENEYE Name: 7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]-6,8-dimethoxy-chromen-2-one
IUPAC Name: 7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoxy]-6,8-dimethoxychromen-2-one
SYSTEMATIC NAME: 7-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoxy]-6,8-dimethoxy-chromen-2-one
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: C/C(=C\CC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)/C)/CCC3C(O3)(C)C
Structure:
CAS RN: 87668-09-5
CAS Name: (3E)-4-methylhexa-3,5-dienoic acid
OPENEYE Name: (3E)-4-methylhexa-3,5-dienoic acid
IUPAC Name: (3E)-4-methylhexa-3,5-dienoic acid
SYSTEMATIC NAME: (3E)-4-methylhexa-3,5-dienoic acid
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: C/C(=C\CC(=O)O)/C=C
Structure:
CAS RN: 87657-49-6
CAS Name: (Z)-9-tetracosenoic acid octadecyl ester
OPENEYE Name: octadecyl (Z)-tetracos-9-enoate
IUPAC Name: octadecyl (Z)-tetracos-9-enoate
SYSTEMATIC NAME: octadecyl (Z)-tetracos-9-enoate
MOLECULAR FORMULA: C42H82O2
MOLECULAR WEIGHT: 619.09928
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCCCCCCCC
Structure:
CAS RN: 87594-50-1
CAS Name: (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
OPENEYE Name: (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
IUPAC Name: (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
SYSTEMATIC NAME: (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: C(=C/C=C/C=C/C=O)\C=C\C=C\C=C\C=O
Structure:
CAS RN: 87340-27-0
CAS Name: (Z)-2-(hydroxymethyl)-2-butenoic acid [(7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C18H25NO5
MOLECULAR WEIGHT: 335.3948
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO
Structure:
CAS RN: 87392-67-4
CAS Name: (Z)-2-(hydroxymethyl)-2-butenoic acid [(7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C18H25NO5
MOLECULAR WEIGHT: 335.3948
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO
Structure:
CAS RN: 87194-76-1
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-propenamide
OPENEYE Name: (E)-3-(3-hydroxy-4-methoxy-phenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enamide
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CN=CN2)O
Structure:
CAS RN: 87189-10-4
CAS Name: 2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]ethyl-trimethylammonium
OPENEYE Name: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl-trimethyl-ammonium
IUPAC Name: 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
SYSTEMATIC NAME: 2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium
MOLECULAR FORMULA: C14H20NO4+
MOLECULAR WEIGHT: 266.3129
SMILES: C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 87173-81-7
CAS Name: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]-2-oxiranyl]deca-5,8-dienoic acid
OPENEYE Name: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
SYSTEMATIC NAME: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C\C[C@H]1[C@H](O1)C/C=C\C/C=C\CCCC(=O)O
Structure:
CAS RN: 87134-87-0
CAS Name: (Z)-2-butenedioic acid; (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; (5R)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C21H22ClNO5
MOLECULAR WEIGHT: 403.85608
SMILES: CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 87081-56-9
CAS Name: (E,2E,3S,4S)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methyl-5-hexenoic acid methyl ester
OPENEYE Name: methyl (E,2E,3S,4S)-6-(4-chloro-3-methoxy-phenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-hex-5-enoate
IUPAC Name: methyl (E,2E,3S,4S)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methylhex-5-enoate
SYSTEMATIC NAME: methyl (E,2E,3S,4S)-6-(4-chloranyl-3-methoxy-phenyl)-4-methoxy-2-(methoxymethylidene)-3-methyl-hex-5-enoate
MOLECULAR FORMULA: C18H23ClO5
MOLECULAR WEIGHT: 354.82522
SMILES: C[C@H]([C@H](/C=C/C1=CC(=C(C=C1)Cl)OC)OC)/C(=C\OC)/C(=O)OC
Structure:
CAS RN: 86832-77-1
CAS Name: 5-chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-oxolanyl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
OPENEYE Name: 5-chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
IUPAC Name: 5-chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
SYSTEMATIC NAME: 3-chloranyl-5-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)-3-methyl-octa-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C23H29ClO5
MOLECULAR WEIGHT: 420.92636
SMILES: CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/C2CC(=O)C(O2)(C)C)O)C=O
Structure:
CAS RN: 86709-50-4
CAS Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H46
MOLECULAR WEIGHT: 394.67554
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)\C(C)C
Structure:
CAS RN: 86710-50-1
CAS Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H46
MOLECULAR WEIGHT: 394.67554
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)\C(C)C
Structure:
CAS RN: 86702-58-1
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC
Structure:
CAS RN: 86701-22-6
CAS Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate
OPENEYE Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
IUPAC Name: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[(Z)-2-ethoxyprop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CCO/C(=C\C1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])/C
Structure:
CAS RN: 86691-98-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H42O7
MOLECULAR WEIGHT: 526.66098
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O)C)\C)O[C@@H]1C
Structure:
CAS RN: 86691-97-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H44O7
MOLECULAR WEIGHT: 540.68756
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O)C)\C)C
Structure:
CAS RN: 86632-03-3
CAS Name: (3R,5R)-3,4,5-tris[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1-hydroxy-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxy-cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-3,4,5-tris[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-1-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C34H30O15
MOLECULAR WEIGHT: 678.593
SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)(O)C(=O)O
Structure:
CAS RN: 86578-99-6
CAS Name: (4Z,12S)-12-methyl-1-oxacyclododec-4-en-2-one
OPENEYE Name: (4Z,12S)-12-methyl-1-oxacyclododec-4-en-2-one
IUPAC Name: (4Z,12S)-12-methyl-1-oxacyclododec-4-en-2-one
SYSTEMATIC NAME: (4Z,12S)-12-methyl-1-oxacyclododec-4-en-2-one
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: C[C@H]1CCCCCC/C=C\CC(=O)O1
Structure:
CAS RN: 86578-98-5
CAS Name: (5E,9E)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
OPENEYE Name: (5E,9E)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
IUPAC Name: (5E,9E)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
SYSTEMATIC NAME: (5E,9E)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: C/C/1=C\CC/C(=C/COC(=O)CC1)/C
Structure:
CAS RN: 86537-99-7
CAS Name: (E)-2-methyl-2-butenoic acid [(4R,4aR,5S,8aR)-3,4a,5-trimethyl-8-oxo-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-4-yl] ester
OPENEYE Name: [(4R,4aR,5S,8aR)-3,4a,5-trimethyl-8-oxo-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(4R,4aR,5S,8aR)-3,4a,5-trimethyl-8-oxo-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4R,4aR,5S,8aR)-3,4a,5-trimethyl-8-oxidanylidene-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O4
MOLECULAR WEIGHT: 330.41804
SMILES: C/C=C(\C)/C(=O)O[C@H]1C2=C(C[C@@H]3[C@]1([C@H](CCC3=O)C)C)OC=C2C
Structure:
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