(5S)-2,2-dimethyl-5-propan-2-yl-cycloheptane-1,3-dione

Systemtic Name: (5S)-2,2-dimethyl-5-propan-2-yl-cycloheptane-1,3-dione Openeye Name: (5S)-5-isopropyl-2,2-dimethyl-cycloheptane-1,3-dione CAS Name: (5S)-2,2-dimethyl-5-propan-2-ylcycloheptane-1,3-dione IUPAC Name: (5S)-2,2-dimethyl-5-propan-2-ylcycloheptane-1,3-dione Traditional Name: (5S)-5-isopropyl-2,2-dimethyl-cycloheptane-1,3-quinone Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=O)C(C(=O)C1)(C)C

Isomeric SMILES

CC(C)[C@H]1CCC(=O)C(C(=O)C1)(C)C

InChI

InChI=1S/C12H20O2/c1-8(2)9-5-6-10(13)12(3,4)11(14)7-9/h8-9H,5-7H2,1-4H3/t9-/m0/s1