[(3R,5R)-5-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-hepta-1,6-dien-3-yl] benzoate

Systemtic Name: [(3R,5R)-5-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-hepta-1,6-dien-3-yl] benzoate Openeye Name: [(1R,3R)-1-isopropenyl-3-(2-methoxy-2-oxo-ethyl)pent-4-enyl] benzoate CAS Name: benzoic acid [(3R,5R)-5-(2-methoxy-2-oxoethyl)-2-methylhepta-1,6-dien-3-yl] ester IUPAC Name: [(3R,5R)-5-(2-methoxy-2-oxoethyl)-2-methylhepta-1,6-dien-3-yl] benzoate Traditional Name: benzoic acid [(1R,3R)-1-isopropenyl-3-(2-keto-2-methoxy-ethyl)pent-4-enyl] ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4/c1-5-14(12-17(19)21-4)11-16(13(2)3)22-18(20)15-9-7-6-8-10-15/h5-10,14,16H,1-2,11-12H2,3-4H3/t14-,16-/m1/s1