(phenylmethyl) 2,2-bis(hydroxymethyl)butanoate

Systemtic Name: (phenylmethyl) 2,2-bis(hydroxymethyl)butanoate Openeye Name: benzyl 2,2-bis(hydroxymethyl)butanoate CAS Name: 2,2-bis(hydroxymethyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,2-bis(hydroxymethyl)butanoate Traditional Name: 2,2-dimethylolbutyric acid benzyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-2-13(9-14,10-15)12(16)17-8-11-6-4-3-5-7-11/h3-7,14-15H,2,8-10H2,1H3