[(3R,4S)-2-methyl-4-oxidanyl-pentan-3-yl] benzoate

Systemtic Name: [(3R,4S)-2-methyl-4-oxidanyl-pentan-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-hydroxyethyl]-2-methyl-propyl] benzoate CAS Name: benzoic acid [(2S,3R)-2-hydroxy-4-methylpentan-3-yl] ester IUPAC Name: [(2S,3R)-2-hydroxy-4-methylpentan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1-hydroxyethyl]-2-methyl-propyl] ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H]([C@@H](C(C)C)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C13H18O3/c1-9(2)12(10(3)14)16-13(15)11-7-5-4-6-8-11/h4-10,12,14H,1-3H3/t10-,12+/m0/s1