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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-chlorophenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-chlorophenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(4-chlorophenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-chlorophenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-chlorophenyl)cyclohexane-1,3-quinone Formula: C22H19ClO5 MolecularWeight: 398.83626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClO5/c23-16-5-3-14(4-6-16)15-10-18(25)22(19(26)11-15)17(24)7-1-13-2-8-20-21(9-13)28-12-27-20/h2-6,8-9,15,22H,1,7,10-12H2