methyl 3-[(2E,6E)-10-acetyloxy-3,7,11-trimethyl-11-oxidanyl-dodeca-2,6-dienyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[(2E,6E)-10-acetyloxy-3,7,11-trimethyl-11-oxidanyl-dodeca-2,6-dienyl]-4-methoxy-benzoate Openeye Name: methyl 3-[(2E,6E)-10-acetoxy-11-hydroxy-3,7,11-trimethyl-dodeca-2,6-dienyl]-4-methoxy-benzoate CAS Name: 3-[(2E,6E)-10-acetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(2E,6E)-10-acetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methoxybenzoate Traditional Name: 3-[(2E,6E)-10-acetoxy-11-hydroxy-3,7,11-trimethyl-dodeca-2,6-dienyl]-4-methoxy-benzoic acid methyl ester Formula: C26H38O6 MolecularWeight: 446.57632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)OC)OC)C)CCC(C(C)(C)O)OC(=O)C

Isomeric SMILES

C/C(=C\CC/C(=C/CC1=C(C=CC(=C1)C(=O)OC)OC)/C)/CCC(C(C)(C)O)OC(=O)C

InChI

InChI=1S/C26H38O6/c1-18(11-13-21-17-22(25(28)31-7)14-15-23(21)30-6)9-8-10-19(2)12-16-24(26(4,5)29)32-20(3)27/h10-11,14-15,17,24,29H,8-9,12-13,16H2,1-7H3/b18-11+,19-10+