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

Systemtic Name: 2-[3-(2,2-diphenyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(2,2-diphenyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(2,2-diphenyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(2,2-diphenyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C34H28O5 MolecularWeight: 516.58312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H28O5/c35-28(33-29(36)21-25(22-30(33)37)24-10-4-1-5-11-24)18-16-23-17-19-31-32(20-23)39-34(38-31,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,17,19-20,25,33H,16,18,21-22H2