5-(3-butanoyl-2,4,5-trimethyl-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-butanoyl-2,4,5-trimethyl-phenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(3-butanoyl-2,4,5-trimethyl-phenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[2,4,5-trimethyl-3-(1-oxobutyl)phenyl]cyclohexane-1,3-dione IUPAC Name: 5-(3-butanoyl-2,4,5-trimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(3-butyryl-2,4,5-trimethyl-phenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=CC(=C1C)C)C2CC(=O)C(=C(CC)O)C(=O)C2)C

Isomeric SMILES

CCCC(=O)C1=C(C(=CC(=C1C)C)C2CC(=O)C(=C(CC)O)C(=O)C2)C

InChI

InChI=1S/C22H28O4/c1-6-8-18(24)21-13(4)12(3)9-16(14(21)5)15-10-19(25)22(17(23)7-2)20(26)11-15/h9,15,23H,6-8,10-11H2,1-5H3