[(2E,6E)-9-methoxycarbonyl-2,6-dimethyl-10-oxidanylidene-undeca-2,6-dienyl] benzoate

Systemtic Name: [(2E,6E)-9-methoxycarbonyl-2,6-dimethyl-10-oxidanylidene-undeca-2,6-dienyl] benzoate Openeye Name: [(2E,6E)-9-methoxycarbonyl-2,6-dimethyl-10-oxo-undeca-2,6-dienyl] benzoate CAS Name: benzoic acid [(2E,6E)-9-methoxycarbonyl-2,6-dimethyl-10-oxoundeca-2,6-dienyl] ester IUPAC Name: [(2E,6E)-9-methoxycarbonyl-2,6-dimethyl-10-oxoundeca-2,6-dienyl] benzoate Traditional Name: benzoic acid [(2E,6E)-9-carbomethoxy-10-keto-2,6-dimethyl-undeca-2,6-dienyl] ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=O)C)C(=O)OC)CCC=C(C)COC(=O)C1=CC=CC=C1

Isomeric SMILES

C/C(=C\CC(C(=O)C)C(=O)OC)/CC/C=C(\C)/COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H28O5/c1-16(13-14-20(18(3)23)22(25)26-4)9-8-10-17(2)15-27-21(24)19-11-6-5-7-12-19/h5-7,10-13,20H,8-9,14-15H2,1-4H3/b16-13+,17-10+