[(2S,4R,5R)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-heptan-2-yl] benzoate

Systemtic Name: [(2S,4R,5R)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-heptan-2-yl] benzoate Openeye Name: [(1S,3R,4R)-4-hydroxy-1,3,5-trimethyl-2-oxo-hexyl] benzoate CAS Name: benzoic acid [(2S,4R,5R)-5-hydroxy-4,6-dimethyl-3-oxoheptan-2-yl] ester IUPAC Name: [(2S,4R,5R)-5-hydroxy-4,6-dimethyl-3-oxoheptan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R,4R)-4-hydroxy-2-keto-1,3,5-trimethyl-hexyl] ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-10(2)14(17)11(3)15(18)12(4)20-16(19)13-8-6-5-7-9-13/h5-12,14,17H,1-4H3/t11-,12+,14-/m1/s1