[(2S,4S)-5-methyl-4,5-bis(oxidanyl)hexan-2-yl] benzoate

Systemtic Name: [(2S,4S)-5-methyl-4,5-bis(oxidanyl)hexan-2-yl] benzoate Openeye Name: [(1S,3S)-3,4-dihydroxy-1,4-dimethyl-pentyl] benzoate CAS Name: benzoic acid [(2S,4S)-4,5-dihydroxy-5-methylhexan-2-yl] ester IUPAC Name: [(2S,4S)-4,5-dihydroxy-5-methylhexan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3S)-3,4-dihydroxy-1,4-dimethyl-pentyl] ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4/c1-10(9-12(15)14(2,3)17)18-13(16)11-7-5-4-6-8-11/h4-8,10,12,15,17H,9H2,1-3H3/t10-,12-/m0/s1