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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-butoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-butoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(4-butoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-butoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-butoxyphenyl)cyclohexane-1,3-quinone Formula: C26H28O6 MolecularWeight: 436.49692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H28O6/c1-2-3-12-30-20-8-6-18(7-9-20)19-14-22(28)26(23(29)15-19)21(27)10-4-17-5-11-24-25(13-17)32-16-31-24/h5-9,11,13,19,26H,2-4,10,12,14-16H2,1H3