2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-propan-2-ylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-propan-2-ylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-isopropylphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(4-propan-2-ylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-propan-2-ylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-p-cumenyl-cyclohexane-1,3-quinone Formula: C25H26O5 MolecularWeight: 406.47094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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