[(E,4S)-6-ethoxy-5-methyl-4-(3-methylphenyl)-6-oxidanylidene-hex-2-enyl] benzoate

Systemtic Name: [(E,4S)-6-ethoxy-5-methyl-4-(3-methylphenyl)-6-oxidanylidene-hex-2-enyl] benzoate Openeye Name: [(E,4S)-6-ethoxy-5-methyl-4-(m-tolyl)-6-oxo-hex-2-enyl] benzoate CAS Name: benzoic acid [(E,4S)-6-ethoxy-5-methyl-4-(3-methylphenyl)-6-oxohex-2-enyl] ester IUPAC Name: [(E,4S)-6-ethoxy-5-methyl-4-(3-methylphenyl)-6-oxohex-2-enyl] benzoate Traditional Name: benzoic acid [(E,4S)-6-ethoxy-6-keto-5-methyl-4-(m-tolyl)hex-2-enyl] ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O4/c1-4-26-22(24)18(3)21(20-13-8-10-17(2)16-20)14-9-15-27-23(25)19-11-6-5-7-12-19/h5-14,16,18,21H,4,15H2,1-3H3/b14-9+/t18?,21-/m0/s1