[(E,5S)-5-[(4-methoxyphenyl)methoxy]-6-oxidanylidene-hex-2-enyl] benzoate

Systemtic Name: [(E,5S)-5-[(4-methoxyphenyl)methoxy]-6-oxidanylidene-hex-2-enyl] benzoate Openeye Name: [(E,5S)-5-[(4-methoxyphenyl)methoxy]-6-oxo-hex-2-enyl] benzoate CAS Name: benzoic acid [(E,5S)-5-[(4-methoxyphenyl)methoxy]-6-oxohex-2-enyl] ester IUPAC Name: [(E,5S)-5-[(4-methoxyphenyl)methoxy]-6-oxohex-2-enyl] benzoate Traditional Name: benzoic acid [(E,5S)-6-keto-5-p-anisyloxy-hex-2-enyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(CC=CCOC(=O)C2=CC=CC=C2)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CO[C@@H](C/C=C/COC(=O)C2=CC=CC=C2)C=O

InChI

InChI=1S/C21H22O5/c1-24-19-12-10-17(11-13-19)16-26-20(15-22)9-5-6-14-25-21(23)18-7-3-2-4-8-18/h2-8,10-13,15,20H,9,14,16H2,1H3/b6-5+/t20-/m0/s1