[(1R)-1-[(1R,2S)-2-(hydroxymethyl)-1-methyl-4-oxidanylidene-cyclopentyl]prop-2-enyl] benzoate

Systemtic Name: [(1R)-1-[(1R,2S)-2-(hydroxymethyl)-1-methyl-4-oxidanylidene-cyclopentyl]prop-2-enyl] benzoate Openeye Name: [(1R)-1-[(1R,2S)-2-(hydroxymethyl)-1-methyl-4-oxo-cyclopentyl]allyl] benzoate CAS Name: benzoic acid [(1R)-1-[(1R,2S)-2-(hydroxymethyl)-1-methyl-4-oxocyclopentyl]prop-2-enyl] ester IUPAC Name: [(1R)-1-[(1R,2S)-2-(hydroxymethyl)-1-methyl-4-oxocyclopentyl]prop-2-enyl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R,2S)-4-keto-1-methyl-2-methylol-cyclopentyl]allyl] ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC1CO)C(C=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@]1(CC(=O)C[C@@H]1CO)[C@@H](C=C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,13,15,18H,1,9-11H2,2H3/t13-,15-,17-/m1/s1