2,4,4-trimethyl-3-(3-oxidanylidenebutyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,4,4-trimethyl-3-(3-oxidanylidenebutyl)cyclohexa-2,5-dien-1-one Openeye Name: 2,4,4-trimethyl-3-(3-oxobutyl)cyclohexa-2,5-dien-1-one CAS Name: 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohexa-2,5-dienone IUPAC Name: 2,4,4-trimethyl-3-(3-oxobutyl)cyclohexa-2,5-dien-1-one Traditional Name: 3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C=CC1=O)(C)C)CCC(=O)C

Isomeric SMILES

CC1=C(C(C=CC1=O)(C)C)CCC(=O)C

InChI

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