[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] benzoate

Systemtic Name: [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] benzoate Openeye Name: [4-hydroxy-1,1-bis(hydroxymethyl)butyl] benzoate CAS Name: benzoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] benzoate Traditional Name: benzoic acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5/c14-8-4-7-13(9-15,10-16)18-12(17)11-5-2-1-3-6-11/h1-3,5-6,14-16H,4,7-10H2