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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C16H20O4/c1-10(2)14(17)11(3)15(18)12(4)20-16(19)13-8-6-5-7-9-13/h5-9,11-12,14,17H,1H2,2-4H3/t11-,12+,14-/m1/s1