[(E,3R,4S)-2,4-dimethyl-8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-oct-6-en-3-yl] benzoate

Systemtic Name: [(E,3R,4S)-2,4-dimethyl-8-[(2-methylpropan-2-yl)oxy]-8-oxidanylidene-oct-6-en-3-yl] benzoate Openeye Name: [(E,1R,2S)-6-tert-butoxy-1-isopropyl-2-methyl-6-oxo-hex-4-enyl] benzoate CAS Name: benzoic acid [(E,3R,4S)-2,4-dimethyl-8-[(2-methylpropan-2-yl)oxy]-8-oxooct-6-en-3-yl] ester IUPAC Name: [(E,3R,4S)-2,4-dimethyl-8-[(2-methylpropan-2-yl)oxy]-8-oxooct-6-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R,2S)-6-tert-butoxy-1-isopropyl-6-keto-2-methyl-hex-4-enyl] ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4/c1-15(2)19(24-20(23)17-12-8-7-9-13-17)16(3)11-10-14-18(22)25-21(4,5)6/h7-10,12-16,19H,11H2,1-6H3/b14-10+/t16-,19+/m0/s1