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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4/c1-4-13(16)10(2)14(17)11(3)19-15(18)12-8-6-5-7-9-12/h5-11,13,16H,4H2,1-3H3/t10-,11+,13-/m0/s1