1-[(1R,2S)-1-methyl-2-oxidanyl-3-oxidanylidene-cyclohexyl]prop-2-enyl benzoate

Systemtic Name: 1-[(1R,2S)-1-methyl-2-oxidanyl-3-oxidanylidene-cyclohexyl]prop-2-enyl benzoate Openeye Name: 1-[(1R,2S)-2-hydroxy-1-methyl-3-oxo-cyclohexyl]allyl benzoate CAS Name: benzoic acid 1-[(1R,2S)-2-hydroxy-1-methyl-3-oxocyclohexyl]prop-2-enyl ester IUPAC Name: 1-[(1R,2S)-2-hydroxy-1-methyl-3-oxocyclohexyl]prop-2-enyl benzoate Traditional Name: benzoic acid 1-[(1R,2S)-2-hydroxy-3-keto-1-methyl-cyclohexyl]allyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1O)C(C=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4/c1-3-14(17(2)11-7-10-13(18)15(17)19)21-16(20)12-8-5-4-6-9-12/h3-6,8-9,14-15,19H,1,7,10-11H2,2H3/t14?,15-,17+/m1/s1