3-[(Z)-2-(2-phenylethynyl)hex-1-enyl]cyclohexan-1-one

Systemtic Name: 3-[(Z)-2-(2-phenylethynyl)hex-1-enyl]cyclohexan-1-one Openeye Name: 3-[(Z)-2-(2-phenylethynyl)hex-1-enyl]cyclohexanone CAS Name: 3-[(Z)-2-(2-phenylethynyl)hex-1-enyl]-1-cyclohexanone IUPAC Name: 3-[(Z)-2-(2-phenylethynyl)hex-1-enyl]cyclohexan-1-one Traditional Name: 3-[(Z)-2-butyl-4-phenyl-but-1-en-3-ynyl]cyclohexanone Formula: C20H24O MolecularWeight: 280.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1CCCC(=O)C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCCC/C(=C/C1CCCC(=O)C1)/C#CC2=CC=CC=C2

InChI

InChI=1S/C20H24O/c1-2-3-8-18(14-13-17-9-5-4-6-10-17)15-19-11-7-12-20(21)16-19/h4-6,9-10,15,19H,2-3,7-8,11-12,16H2,1H3/b18-15-