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

Systemtic Name: [(2E,4R,6E)-1-methoxy-8-(oxan-2-yloxy)-1-oxidanylidene-octa-2,6-dien-4-yl] benzoate Openeye Name: [(E,1R)-1-[(E)-3-methoxy-3-oxo-prop-1-enyl]-5-tetrahydropyran-2-yloxy-pent-3-enyl] benzoate CAS Name: benzoic acid [(2E,4R,6E)-1-methoxy-8-(2-oxanyloxy)-1-oxoocta-2,6-dien-4-yl] ester IUPAC Name: [(2E,4R,6E)-1-methoxy-8-(oxan-2-yloxy)-1-oxoocta-2,6-dien-4-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-tetrahydropyran-2-yloxy-pent-3-enyl] ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC=CCOC1CCCCO1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/[C@@H](C/C=C/COC1CCCCO1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O6/c1-24-19(22)14-13-18(27-21(23)17-9-3-2-4-10-17)11-5-7-15-25-20-12-6-8-16-26-20/h2-5,7,9-10,13-14,18,20H,6,8,11-12,15-16H2,1H3/b7-5+,14-13+/t18-,20?/m1/s1