[(2E,6E,10E)-3,7,11-trimethyl-12-oxidanyl-dodeca-2,6,10-trienyl] benzoate

Systemtic Name: [(2E,6E,10E)-3,7,11-trimethyl-12-oxidanyl-dodeca-2,6,10-trienyl] benzoate Openeye Name: [(2E,6E,10E)-12-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl] benzoate CAS Name: benzoic acid [(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl] ester IUPAC Name: [(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl] benzoate Traditional Name: benzoic acid [(2E,6E,10E)-12-hydroxy-3,7,11-trimethyl-dodeca-2,6,10-trienyl] ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-18(10-8-12-20(3)17-23)9-7-11-19(2)15-16-25-22(24)21-13-5-4-6-14-21/h4-6,9,12-15,23H,7-8,10-11,16-17H2,1-3H3/b18-9+,19-15+,20-12+