3,4-bis(oxidanyl)pentyl benzoate

Systemtic Name: 3,4-bis(oxidanyl)pentyl benzoate Openeye Name: 3,4-dihydroxypentyl benzoate CAS Name: benzoic acid 3,4-dihydroxypentyl ester IUPAC Name: 3,4-dihydroxypentyl benzoate Traditional Name: benzoic acid 3,4-dihydroxypentyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCOC(=O)C1=CC=CC=C1)O)O

Isomeric SMILES

CC(C(CCOC(=O)C1=CC=CC=C1)O)O

InChI

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