6-but-3-yn-2-yl-3,6-dimethyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-but-3-yn-2-yl-3,6-dimethyl-cyclohexa-2,4-dien-1-one Openeye Name: 3,6-dimethyl-6-(1-methylprop-2-ynyl)cyclohexa-2,4-dien-1-one CAS Name: 6-but-3-yn-2-yl-3,6-dimethyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-but-3-yn-2-yl-3,6-dimethylcyclohexa-2,4-dien-1-one Traditional Name: 3,6-dimethyl-6-(1-methylprop-2-ynyl)cyclohexa-2,4-dien-1-one Formula: C12H14O MolecularWeight: 174.23896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C=C1)(C)C(C)C#C

Isomeric SMILES

CC1=CC(=O)C(C=C1)(C)C(C)C#C

InChI

InChI=1S/C12H14O/c1-5-10(3)12(4)7-6-9(2)8-11(12)13/h1,6-8,10H,2-4H3