bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; pentane-2,4-dione

Systemtic Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; pentane-2,4-dione Openeye Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; pentane-2,4-dione CAS Name: 6-bicyclo[3.1.1]hepta-1(7),2,4-trienone; pentane-2,4-dione IUPAC Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; pentane-2,4-dione Traditional Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; pentane-2,4-dione Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4O.C5H8O2/c8-7-5-2-1-3-6(7)4-5;1-4(6)3-5(2)7/h1-4H;3H2,1-2H3