[(2E,4R,6E)-1-methoxy-8-oxidanyl-1-oxidanylidene-octa-2,6-dien-4-yl] benzoate

Systemtic Name: [(2E,4R,6E)-1-methoxy-8-oxidanyl-1-oxidanylidene-octa-2,6-dien-4-yl] benzoate Openeye Name: [(E,1R)-5-hydroxy-1-[(E)-3-methoxy-3-oxo-prop-1-enyl]pent-3-enyl] benzoate CAS Name: benzoic acid [(2E,4R,6E)-8-hydroxy-1-methoxy-1-oxoocta-2,6-dien-4-yl] ester IUPAC Name: [(2E,4R,6E)-8-hydroxy-1-methoxy-1-oxoocta-2,6-dien-4-yl] benzoate Traditional Name: benzoic acid [(E,1R)-5-hydroxy-1-[(E)-3-keto-3-methoxy-prop-1-enyl]pent-3-enyl] ester Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C=C/[C@@H](C/C=C/CO)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H18O5/c1-20-15(18)11-10-14(9-5-6-12-17)21-16(19)13-7-3-2-4-8-13/h2-8,10-11,14,17H,9,12H2,1H3/b6-5+,11-10+/t14-/m1/s1