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

Systemtic Name: [(2S,4R,5R)-4-methyl-5-oxidanyl-3-oxidanylidene-hexan-2-yl] benzoate Openeye Name: [(1S,3R,4R)-4-hydroxy-1,3-dimethyl-2-oxo-pentyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-5-hydroxy-4-methyl-3-oxohexan-2-yl] ester IUPAC Name: [(2S,4R,5R)-5-hydroxy-4-methyl-3-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R)-4-hydroxy-2-keto-1,3-dimethyl-pentyl] ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-9(10(2)15)13(16)11(3)18-14(17)12-7-5-4-6-8-12/h4-11,15H,1-3H3/t9-,10-,11+/m1/s1