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

Systemtic Name: [(E,2S,4R,5S)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-oct-6-en-2-yl] benzoate Openeye Name: [(E,1S,3R,4S)-4-hydroxy-1,3,5-trimethyl-2-oxo-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,2S,4R,5S)-5-hydroxy-4,6-dimethyl-3-oxooct-6-en-2-yl] ester IUPAC Name: [(E,2S,4R,5S)-5-hydroxy-4,6-dimethyl-3-oxooct-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,3R,4S)-4-hydroxy-2-keto-1,3,5-trimethyl-hept-5-enyl] ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4/c1-5-11(2)15(18)12(3)16(19)13(4)21-17(20)14-9-7-6-8-10-14/h5-10,12-13,15,18H,1-4H3/b11-5+/t12-,13+,15-/m1/s1