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

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-1-oxopentyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)pentanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C24H24O5 MolecularWeight: 392.44436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H24O5/c25-19(9-5-4-6-16-10-11-22-23(12-16)29-15-28-22)24-20(26)13-18(14-21(24)27)17-7-2-1-3-8-17/h1-3,7-8,10-12,18,24H,4-6,9,13-15H2