[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] benzoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] benzoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] benzoate CAS Name: benzoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] benzoate Traditional Name: benzoic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4/c1-12(7-13,8-14)9-16-11(15)10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3