[(E)-3-(hydroxymethyl)-4-(phenylcarbonyloxy)but-2-enyl] benzoate

Systemtic Name: [(E)-3-(hydroxymethyl)-4-(phenylcarbonyloxy)but-2-enyl] benzoate Openeye Name: [(E)-3-(benzoyloxymethyl)-4-hydroxy-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-3-(benzoyloxymethyl)-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-3-(benzoyloxymethyl)-4-hydroxybut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-3-(benzoyloxymethyl)-4-hydroxy-but-2-enyl] ester Formula: C19H18O5 MolecularWeight: 326.34322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC=C(CO)COC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C=C(\CO)/COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18O5/c20-13-15(14-24-19(22)17-9-5-2-6-10-17)11-12-23-18(21)16-7-3-1-4-8-16/h1-11,20H,12-14H2/b15-11+