[(1R,2S,3R)-2-methanoyl-2,3-dimethyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)cyclohexyl]methyl benzoate

Systemtic Name: [(1R,2S,3R)-2-methanoyl-2,3-dimethyl-4-oxidanylidene-3-(3-oxidanylidenebutyl)cyclohexyl]methyl benzoate Openeye Name: [(1R,2S,3R)-2-formyl-2,3-dimethyl-4-oxo-3-(3-oxobutyl)cyclohexyl]methyl benzoate CAS Name: benzoic acid [(1R,2S,3R)-2-formyl-2,3-dimethyl-4-oxo-3-(3-oxobutyl)cyclohexyl]methyl ester IUPAC Name: [(1R,2S,3R)-2-formyl-2,3-dimethyl-4-oxo-3-(3-oxobutyl)cyclohexyl]methyl benzoate Traditional Name: benzoic acid [(1R,2S,3R)-2-formyl-4-keto-3-(3-ketobutyl)-2,3-dimethyl-cyclohexyl]methyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)CCC(C1(C)C=O)COC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-15(23)11-12-20(2)18(24)10-9-17(21(20,3)14-22)13-26-19(25)16-7-5-4-6-8-16/h4-8,14,17H,9-13H2,1-3H3/t17-,20-,21-/m0/s1