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

Systemtic Name: 4-(phenylmethyl)cyclohexane-1,3-dione Openeye Name: 4-benzylcyclohexane-1,3-dione CAS Name: 4-(phenylmethyl)cyclohexane-1,3-dione IUPAC Name: 4-benzylcyclohexane-1,3-dione Traditional Name: 4-benzylcyclohexane-1,3-quinone Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(=O)C1CC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)CC(=O)C1CC2=CC=CC=C2

InChI

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