[(2E,6E)-5-acetyloxy-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,6-dienyl] ethanoate

Systemtic Name: [(2E,6E)-5-acetyloxy-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,6-dienyl] ethanoate Openeye Name: [(2E,6E)-5-acetoxy-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,6-dienyl] acetate CAS Name: acetic acid [(2E,6E)-5-acetyloxy-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,6-dienyl] ester IUPAC Name: [(2E,6E)-5-acetyloxy-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,6-dienyl] acetate Traditional Name: acetic acid [(2E,6E)-5-acetoxy-9-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-9-(3-methoxyphenyl)sulfonyl-3,7-dimethyl-nona-2,6-dienyl] ester Formula: C31H42O8S MolecularWeight: 574.72538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C(CC(=CC(CC(=CCOC(=O)C)C)OC(=O)C)C)S(=O)(=O)C2=CC=CC(=C2)OC

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)C(C/C(=C/C(C/C(=C/COC(=O)C)/C)OC(=O)C)/C)S(=O)(=O)C2=CC=CC(=C2)OC

InChI

InChI=1S/C31H42O8S/c1-20(13-15-38-23(4)32)16-26(39-24(5)33)17-21(2)18-29(30-22(3)28(34)12-14-31(30,6)7)40(35,36)27-11-9-10-25(19-27)37-8/h9-11,13,17,19,26,29H,12,14-16,18H2,1-8H3/b20-13+,21-17+