2-[(E)-but-1-en-3-ynyl]-3-methyl-cyclohexan-1-one

Systemtic Name: 2-[(E)-but-1-en-3-ynyl]-3-methyl-cyclohexan-1-one Openeye Name: 2-[(E)-but-1-en-3-ynyl]-3-methyl-cyclohexanone CAS Name: 2-[(E)-but-1-en-3-ynyl]-3-methyl-1-cyclohexanone IUPAC Name: 2-[(E)-but-1-en-3-ynyl]-3-methylcyclohexan-1-one Traditional Name: 2-[(E)-but-1-en-3-ynyl]-3-methyl-cyclohexanone Formula: C11H14O MolecularWeight: 162.22826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1C=CC#C

Isomeric SMILES

CC1CCCC(=O)C1/C=C/C#C

InChI

InChI=1S/C11H14O/c1-3-4-7-10-9(2)6-5-8-11(10)12/h1,4,7,9-10H,5-6,8H2,2H3/b7-4+