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

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-quinone Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26O6/c1-29-22-9-5-3-7-18(22)17-13-20(27)25(21(28)14-17)19(26)8-4-2-6-16-10-11-23-24(12-16)31-15-30-23/h3,5,7,9-12,17,25H,2,4,6,8,13-15H2,1H3