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

Systemtic Name: 2-[3-(2,2-diethyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(2,2-diethyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[3-(2,2-diethyl-1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(2,2-diethyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(2,2-diethyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC2=C(O1)C=C(C=C2)CCC(=O)C3C(=O)CC(CC3=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCC1(OC2=C(O1)C=C(C=C2)CCC(=O)C3C(=O)CC(CC3=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C26H28O5/c1-3-26(4-2)30-23-13-11-17(14-24(23)31-26)10-12-20(27)25-21(28)15-19(16-22(25)29)18-8-6-5-7-9-18/h5-9,11,13-14,19,25H,3-4,10,12,15-16H2,1-2H3