[(E,2S)-4-(3-methylphenyl)-2-oxidanyl-but-3-enyl] benzoate

Systemtic Name: [(E,2S)-4-(3-methylphenyl)-2-oxidanyl-but-3-enyl] benzoate Openeye Name: [(E,2S)-2-hydroxy-4-(m-tolyl)but-3-enyl] benzoate CAS Name: benzoic acid [(E,2S)-2-hydroxy-4-(3-methylphenyl)but-3-enyl] ester IUPAC Name: [(E,2S)-2-hydroxy-4-(3-methylphenyl)but-3-enyl] benzoate Traditional Name: benzoic acid [(E,2S)-2-hydroxy-4-(m-tolyl)but-3-enyl] ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(COC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/[C@@H](COC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C18H18O3/c1-14-6-5-7-15(12-14)10-11-17(19)13-21-18(20)16-8-3-2-4-9-16/h2-12,17,19H,13H2,1H3/b11-10+/t17-/m0/s1