[2-methoxy-4-[(E)-3-oxidanylidene-7-phenyl-hept-1-enyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-7-phenyl-hept-1-enyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(E)-3-oxo-7-phenyl-hept-1-enyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(E)-3-oxo-7-phenylhept-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-7-phenylhept-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-3-keto-7-phenyl-hept-1-enyl]-2-methoxy-phenyl] ester Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CCCCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26O4/c1-30-26-20-22(17-19-25(26)31-27(29)23-13-6-3-7-14-23)16-18-24(28)15-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-14,16-20H,8-9,12,15H2,1H3/b18-16+