3-(phenylmethyl)cyclohexane-1,2-dione

Systemtic Name: 3-(phenylmethyl)cyclohexane-1,2-dione Openeye Name: 3-benzylcyclohexane-1,2-dione CAS Name: 3-(phenylmethyl)cyclohexane-1,2-dione IUPAC Name: 3-benzylcyclohexane-1,2-dione Traditional Name: 3-benzylcyclohexane-1,2-quinone Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=O)C1)CC2=CC=CC=C2

Isomeric SMILES

C1CC(C(=O)C(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H14O2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2