[(2S)-2-(hydroxymethyl)-2-phenyl-butyl] benzoate

Systemtic Name: [(2S)-2-(hydroxymethyl)-2-phenyl-butyl] benzoate Openeye Name: [(2S)-2-(hydroxymethyl)-2-phenyl-butyl] benzoate CAS Name: benzoic acid [(2S)-2-(hydroxymethyl)-2-phenylbutyl] ester IUPAC Name: [(2S)-2-(hydroxymethyl)-2-phenylbutyl] benzoate Traditional Name: benzoic acid [(2S)-2-methylol-2-phenyl-butyl] ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC[C@](CO)(COC(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H20O3/c1-2-18(13-19,16-11-7-4-8-12-16)14-21-17(20)15-9-5-3-6-10-15/h3-12,19H,2,13-14H2,1H3/t18-/m0/s1