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

Systemtic Name: [3-(hydroxymethyl)-4-oxidanyl-but-2-enyl] benzoate Openeye Name: [4-hydroxy-3-(hydroxymethyl)but-2-enyl] benzoate CAS Name: benzoic acid [4-hydroxy-3-(hydroxymethyl)but-2-enyl] ester IUPAC Name: [4-hydroxy-3-(hydroxymethyl)but-2-enyl] benzoate Traditional Name: benzoic acid (4-hydroxy-3-methylol-but-2-enyl) ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c13-8-10(9-14)6-7-16-12(15)11-4-2-1-3-5-11/h1-6,13-14H,7-9H2