5-butanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 5-butanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one Openeye Name: 5-butanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one CAS Name: 4,6,6-trimethyl-5-(1-oxobutyl)-1-cyclohexa-2,4-dienone IUPAC Name: 5-butanoyl-4,6,6-trimethylcyclohexa-2,4-dien-1-one Traditional Name: 5-butyryl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=O)C1(C)C)C

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=O)C1(C)C)C

InChI

InChI=1S/C13H18O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h7-8H,5-6H2,1-4H3