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

Systemtic Name: [(4S,5S)-4,5-bis(oxidanyl)hexan-2-yl] benzoate Openeye Name: [(3S,4S)-3,4-dihydroxy-1-methyl-pentyl] benzoate CAS Name: benzoic acid [(4S,5S)-4,5-dihydroxyhexan-2-yl] ester IUPAC Name: [(4S,5S)-4,5-dihydroxyhexan-2-yl] benzoate Traditional Name: benzoic acid [(3S,4S)-3,4-dihydroxy-1-methyl-pentyl] ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-9(8-12(15)10(2)14)17-13(16)11-6-4-3-5-7-11/h3-7,9-10,12,14-15H,8H2,1-2H3/t9?,10-,12-/m0/s1