[(2R)-2-(hydroxymethyl)-2-oxidanyl-pent-4-enyl] benzoate

Systemtic Name: [(2R)-2-(hydroxymethyl)-2-oxidanyl-pent-4-enyl] benzoate Openeye Name: [(2R)-2-hydroxy-2-(hydroxymethyl)pent-4-enyl] benzoate CAS Name: benzoic acid [(2R)-2-hydroxy-2-(hydroxymethyl)pent-4-enyl] ester IUPAC Name: [(2R)-2-hydroxy-2-(hydroxymethyl)pent-4-enyl] benzoate Traditional Name: benzoic acid [(2R)-2-hydroxy-2-methylol-pent-4-enyl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CO)(COC(=O)C1=CC=CC=C1)O

Isomeric SMILES

C=CC[C@@](CO)(COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C13H16O4/c1-2-8-13(16,9-14)10-17-12(15)11-6-4-3-5-7-11/h2-7,14,16H,1,8-10H2/t13-/m1/s1