[(2E,6E)-8-ethenyl-9-oxidanyl-dodeca-2,6-dienyl] benzoate

Systemtic Name: [(2E,6E)-8-ethenyl-9-oxidanyl-dodeca-2,6-dienyl] benzoate Openeye Name: [(2E,6E)-9-hydroxy-8-vinyl-dodeca-2,6-dienyl] benzoate CAS Name: benzoic acid [(2E,6E)-8-ethenyl-9-hydroxydodeca-2,6-dienyl] ester IUPAC Name: [(2E,6E)-8-ethenyl-9-hydroxydodeca-2,6-dienyl] benzoate Traditional Name: benzoic acid [(2E,6E)-8-(1-hydroxybutyl)deca-2,6,9-trienyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C(C=C)/C=C/CC/C=C/COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C21H28O3/c1-3-13-20(22)18(4-2)14-9-6-5-7-12-17-24-21(23)19-15-10-8-11-16-19/h4,7-12,14-16,18,20,22H,2-3,5-6,13,17H2,1H3/b12-7+,14-9+