[(2Z,6E)-3,11-dimethyl-7-(phenylcarbonyloxymethyl)dodeca-2,6,10-trienyl] benzoate

Systemtic Name: [(2Z,6E)-3,11-dimethyl-7-(phenylcarbonyloxymethyl)dodeca-2,6,10-trienyl] benzoate Openeye Name: [(2Z,6E)-7-(benzoyloxymethyl)-3,11-dimethyl-dodeca-2,6,10-trienyl] benzoate CAS Name: benzoic acid [(2Z,6E)-7-(benzoyloxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] ester IUPAC Name: [(2Z,6E)-7-(benzoyloxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] benzoate Traditional Name: benzoic acid [(2Z,6E)-7-(benzoyloxymethyl)-3,11-dimethyl-dodeca-2,6,10-trienyl] ester Formula: C29H34O4 MolecularWeight: 446.57786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCOC(=O)C1=CC=CC=C1)C)COC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C\COC(=O)C1=CC=CC=C1)/C)/COC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C29H34O4/c1-23(2)12-10-14-25(22-33-29(31)27-18-8-5-9-19-27)15-11-13-24(3)20-21-32-28(30)26-16-6-4-7-17-26/h4-9,12,15-20H,10-11,13-14,21-22H2,1-3H3/b24-20-,25-15+