3,7-bis(phenylmethyl)cycloheptane-1,2-dione

Systemtic Name: 3,7-bis(phenylmethyl)cycloheptane-1,2-dione Openeye Name: 3,7-dibenzylcycloheptane-1,2-dione CAS Name: 3,7-bis(phenylmethyl)cycloheptane-1,2-dione IUPAC Name: 3,7-dibenzylcycloheptane-1,2-dione Traditional Name: 3,7-dibenzylcycloheptane-1,2-quinone Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=O)C(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CC(C(=O)C(=O)C(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22O2/c22-20-18(14-16-8-3-1-4-9-16)12-7-13-19(21(20)23)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2