(1S,2R,6R)-1,2-dimethyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-6-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde

Systemtic Name: (1S,2R,6R)-1,2-dimethyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-6-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde Openeye Name: (1S,2R,6R)-6-(benzyloxymethyl)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)cyclohexanecarbaldehyde CAS Name: (1S,2R,6R)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)-6-(phenylmethoxymethyl)-1-cyclohexanecarboxaldehyde IUPAC Name: (1S,2R,6R)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)-6-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde Traditional Name: (1S,2R,6R)-6-(benzoxymethyl)-3-keto-2-(3-ketobutyl)-1,2-dimethyl-cyclohexanecarbaldehyde Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)CCC(C1(C)C=O)COCC2=CC=CC=C2)C

Isomeric SMILES

CC(=O)CC[C@]1(C(=O)CC[C@H]([C@]1(C)C=O)COCC2=CC=CC=C2)C

InChI

InChI=1S/C21H28O4/c1-16(23)11-12-20(2)19(24)10-9-18(21(20,3)15-22)14-25-13-17-7-5-4-6-8-17/h4-8,15,18H,9-14H2,1-3H3/t18-,20-,21-/m0/s1