(phenylmethyl) 2-ethyl-2-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) 2-ethyl-2-oxidanyl-butanoate Openeye Name: benzyl 2-ethyl-2-hydroxy-butanoate CAS Name: 2-ethyl-2-hydroxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-ethyl-2-hydroxybutanoate Traditional Name: 2-ethyl-2-hydroxy-butyric acid benzyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCC(CC)(C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C13H18O3/c1-3-13(15,4-2)12(14)16-10-11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3