5-(phenylmethyl)bicyclo[3.3.1]nonane-2,9-dione

Systemtic Name: 5-(phenylmethyl)bicyclo[3.3.1]nonane-2,9-dione Openeye Name: 5-benzylbicyclo[3.3.1]nonane-2,9-dione CAS Name: 5-(phenylmethyl)bicyclo[3.3.1]nonane-2,9-dione IUPAC Name: 5-benzylbicyclo[3.3.1]nonane-2,9-dione Traditional Name: 5-benzylbicyclo[3.3.1]nonane-2,9-quinone Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)CCC(C1)(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC2C(=O)CCC(C1)(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H18O2/c17-14-8-10-16(9-4-7-13(14)15(16)18)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2