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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22O6/c1-27-17-6-4-15(5-7-17)16-11-19(25)23(20(26)12-16)18(24)8-2-14-3-9-21-22(10-14)29-13-28-21/h3-7,9-10,16,23H,2,8,11-13H2,1H3