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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22O6/c1-27-20-5-3-2-4-16(20)15-11-18(25)23(19(26)12-15)17(24)8-6-14-7-9-21-22(10-14)29-13-28-21/h2-5,7,9-10,15,23H,6,8,11-13H2,1H3