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

Systemtic Name: 2-[3-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[3-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[3-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[3-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[3-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C25H26O5 MolecularWeight: 406.47094

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26O5/c1-3-25(2)29-22-12-10-16(13-23(22)30-25)9-11-19(26)24-20(27)14-18(15-21(24)28)17-7-5-4-6-8-17/h4-8,10,12-13,18,24H,3,9,11,14-15H2,1-2H3