[(E,2S,4R,5R)-4-methyl-5-oxidanyl-3-oxidanylidene-oct-6-en-2-yl] benzoate

Systemtic Name: [(E,2S,4R,5R)-4-methyl-5-oxidanyl-3-oxidanylidene-oct-6-en-2-yl] benzoate Openeye Name: [(E,1S,3R,4R)-4-hydroxy-1,3-dimethyl-2-oxo-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,2S,4R,5R)-5-hydroxy-4-methyl-3-oxooct-6-en-2-yl] ester IUPAC Name: [(E,2S,4R,5R)-5-hydroxy-4-methyl-3-oxooct-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,3R,4R)-4-hydroxy-2-keto-1,3-dimethyl-hept-5-enyl] ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4/c1-4-8-14(17)11(2)15(18)12(3)20-16(19)13-9-6-5-7-10-13/h4-12,14,17H,1-3H3/b8-4+/t11-,12+,14-/m1/s1