[(2S,4R,5R)-4-ethyl-5-oxidanyl-3-oxidanylidene-hexan-2-yl] benzoate

Systemtic Name: [(2S,4R,5R)-4-ethyl-5-oxidanyl-3-oxidanylidene-hexan-2-yl] benzoate Openeye Name: [(1S,3R,4R)-3-ethyl-4-hydroxy-1-methyl-2-oxo-pentyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-4-ethyl-5-hydroxy-3-oxohexan-2-yl] ester IUPAC Name: [(2S,4R,5R)-4-ethyl-5-hydroxy-3-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R)-3-ethyl-4-hydroxy-2-keto-1-methyl-pentyl] ester Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4/c1-4-13(10(2)16)14(17)11(3)19-15(18)12-8-6-5-7-9-12/h5-11,13,16H,4H2,1-3H3/t10-,11+,13-/m1/s1