[(3S)-1,2-bis(oxidanyl)octan-3-yl] benzoate

Systemtic Name: [(3S)-1,2-bis(oxidanyl)octan-3-yl] benzoate Openeye Name: [(1S)-1-(1,2-dihydroxyethyl)hexyl] benzoate CAS Name: benzoic acid [(3S)-1,2-dihydroxyoctan-3-yl] ester IUPAC Name: [(3S)-1,2-dihydroxyoctan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-(1,2-dihydroxyethyl)hexyl] ester Formula: C15H22O4 MolecularWeight: 266.33278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](C(CO)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H22O4/c1-2-3-5-10-14(13(17)11-16)19-15(18)12-8-6-4-7-9-12/h4,6-9,13-14,16-17H,2-3,5,10-11H2,1H3/t13?,14-/m0/s1