2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C25H26O5 MolecularWeight: 406.47094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26O5/c1-16-6-9-18(10-7-16)19-13-21(27)25(22(28)14-19)20(26)5-3-2-4-17-8-11-23-24(12-17)30-15-29-23/h6-12,19,25H,2-5,13-15H2,1H3