CAS RN: 52229-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30O10
MOLECULAR WEIGHT: 478.489
SMILES: C/C=C(\C)/C(=O)OC1CC(C(=O)CCC2(C(O2)C3C1=C(C(=O)O3)COC(=O)C)C)(C)OC(=O)C
Structure:
CAS RN: 105304-94-7
CAS Name: (3S,3aS,7S,9S,10Z,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
OPENEYE Name: (3S,3aS,7S,9S,10Z,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
IUPAC Name: (3S,3aS,7S,9S,10Z,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3S,3aS,7S,9S,10Z,11aS)-3,10-dimethyl-6-methylidene-7,9-bis(oxidanyl)-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@H]1[C@@H]2CCC(=C)[C@H](C[C@@H](/C(=C\[C@H]2OC1=O)/C)O)O
Structure:
CAS RN: 105072-20-6
CAS Name: 3-methylbutanoic acid [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(3,4,5-trimethoxyphenyl)allyl] 3-methylbutanoate
IUPAC Name: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
SYSTEMATIC NAME: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: CC(C)CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 105072-19-3
CAS Name: 3-methylbutanoic acid [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(3,4-dimethoxyphenyl)allyl] 3-methylbutanoate
IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
SYSTEMATIC NAME: [(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] 3-methylbutanoate
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CC(C)CC(=O)OC/C=C/C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 105018-76-6
CAS Name: 2-hydroxy-3-[(4Z,7Z,12E)-11-methoxypentadeca-4,7,12-trien-2-yl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-3-[(3Z,6Z,11E)-10-methoxy-1-methyl-tetradeca-3,6,11-trienyl]-1,4-benzoquinone
IUPAC Name: 2-hydroxy-3-[(4Z,7Z,12E)-11-methoxypentadeca-4,7,12-trien-2-yl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[(4Z,7Z,12E)-11-methoxypentadeca-4,7,12-trien-2-yl]-3-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC/C=C/C(CC/C=C\C/C=C\CC(C)C1=C(C(=O)C=CC1=O)O)OC
Structure:
CAS RN: 104907-57-5
CAS Name: 2-[2-[(Z)-3-methoxy-1-oxo-3-phenylprop-2-enyl]phenyl]acetic acid
OPENEYE Name: 2-[2-[(Z)-3-methoxy-3-phenyl-prop-2-enoyl]phenyl]acetic acid
IUPAC Name: 2-[2-[(Z)-3-methoxy-3-phenylprop-2-enoyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[(Z)-3-methoxy-3-phenyl-prop-2-enoyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: CO/C(=C\C(=O)C1=CC=CC=C1CC(=O)O)/C2=CC=CC=C2
Structure:
CAS RN: 104907-56-4
CAS Name: 2-[2-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]acetic acid
OPENEYE Name: 2-[2-[(E)-3-phenylprop-2-enoyl]phenyl]acetic acid
IUPAC Name: 2-[2-[(E)-3-phenylprop-2-enoyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[(E)-3-phenylprop-2-enoyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C17H14O3
MOLECULAR WEIGHT: 266.29126
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2CC(=O)O
Structure:
CAS RN: 104750-89-2
CAS Name: acetic acid [(2E,13Z)-octadeca-2,13-dienyl] ester; acetic acid [(3E,13Z)-octadeca-3,13-dienyl] ester
OPENEYE Name: [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3E,13Z)-octadeca-3,13-dienyl] acetate
IUPAC Name: [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3E,13Z)-octadeca-3,13-dienyl] acetate
SYSTEMATIC NAME: [(2E,13Z)-octadeca-2,13-dienyl] ethanoate; [(3E,13Z)-octadeca-3,13-dienyl] ethanoate
MOLECULAR FORMULA: C40H72O4
MOLECULAR WEIGHT: 616.99728
SMILES: CCCC/C=C\CCCCCCCCC/C=C/COC(=O)C.CCCC/C=C\CCCCCCCC/C=C/CCOC(=O)C
Structure:
CAS RN: 104628-07-1
CAS Name: 3-(2,2-dichloroethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester; phosphoric acid dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] ester
OPENEYE Name: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate; dimethyl [(E)-1-methyl-3-(methylamino)-3-oxo-prop-1-enyl] phosphate
IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate; dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
SYSTEMATIC NAME: [cyano-(3-phenoxyphenyl)methyl] 3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate; dimethyl [(E)-4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] phosphate
MOLECULAR FORMULA: C29H33Cl2N2O8P
MOLECULAR WEIGHT: 639.460681
SMILES: C/C(=C\C(=O)NC)/OP(=O)(OC)OC.CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
Structure:
CAS RN: 104613-83-4
CAS Name: (Z)-2-methyl-4-oxo-2-pentenal
OPENEYE Name: (Z)-2-methyl-4-oxo-pent-2-enal
IUPAC Name: (Z)-2-methyl-4-oxopent-2-enal
SYSTEMATIC NAME: (Z)-2-methyl-4-oxidanylidene-pent-2-enal
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C/C(=C/C(=O)C)/C=O
Structure:
CAS RN: 104494-22-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O8
MOLECULAR WEIGHT: 500.58064
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=C5C[C@H]([C@@]4(CC3)C)/C(=C/C(O)O)/C(=O)O5)C)C)O
Structure:
CAS RN: 104420-17-9
CAS Name: (2E,4E,6E,8R)-8-[(2R,3S)-2-hydroxy-3-methyl-1-oxopentoxy]-8-[(2S)-2-methyl-2-oxiranyl]octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E,8R)-8-[(2R,3S)-2-hydroxy-3-methyl-pentanoyl]oxy-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E,8R)-8-[(2R,3S)-2-hydroxy-3-methylpentanoyl]oxy-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E,8R)-8-[(2R,3S)-3-methyl-2-oxidanyl-pentanoyl]oxy-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C17H24O6
MOLECULAR WEIGHT: 324.36886
SMILES: CC[C@H](C)[C@H](C(=O)O[C@H](/C=C/C=C/C=C/C(=O)O)[C@@]1(CO1)C)O
Structure:
CAS RN: 110978-97-7
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H23NO9
MOLECULAR WEIGHT: 457.43002
SMILES: C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
Structure:
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