[(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-3-methoxy-2-methyl-5-oxidanylidene-dodeca-9,11-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-3-methoxy-2-methyl-5-oxidanylidene-dodeca-9,11-dienyl] 4-methylbenzenesulfonate Openeye Name: [(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-3-methoxy-2-methyl-5-oxo-dodeca-9,11-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-3-methoxy-2-methyl-5-oxododeca-9,11-dienyl] ester IUPAC Name: [(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-3-methoxy-2-methyl-5-oxododeca-9,11-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,9E,11E)-12-(3,5-dimethoxyphenyl)-5-keto-3-methoxy-2-methyl-dodeca-9,11-dienyl] ester Formula: C29H38O7S MolecularWeight: 530.67282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(CC(=O)CCCC=CC=CC2=CC(=CC(=C2)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)C(CC(=O)CCC/C=C/C=C/C2=CC(=CC(=C2)OC)OC)OC

InChI

InChI=1S/C29H38O7S/c1-22-13-15-28(16-14-22)37(31,32)36-21-23(2)29(35-5)19-25(30)12-10-8-6-7-9-11-24-17-26(33-3)20-27(18-24)34-4/h6-7,9,11,13-18,20,23,29H,8,10,12,19,21H2,1-5H3/b7-6+,11-9+/t23-,29?/m0/s1