2-[3-(2-oxidanylidene-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[3-(2-oxidanylidene-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(2-oxo-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1-oxo-3-(2-oxo-1,3-benzodioxol-5-yl)propyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(2-oxo-1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(2-keto-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C22H18O6 MolecularWeight: 378.37472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C22H18O6/c23-16(8-6-13-7-9-19-20(10-13)28-22(26)27-19)21-17(24)11-15(12-18(21)25)14-4-2-1-3-5-14/h1-5,7,9-10,15,21H,6,8,11-12H2