1-phenyl-4-(2-phenylethynyl)cycloheptane

Systemtic Name: 1-phenyl-4-(2-phenylethynyl)cycloheptane Openeye Name: 1-phenyl-4-(2-phenylethynyl)cycloheptane CAS Name: 1-phenyl-4-(2-phenylethynyl)cycloheptane IUPAC Name: 1-phenyl-4-(2-phenylethynyl)cycloheptane Traditional Name: 1-phenyl-4-(2-phenylethynyl)cycloheptane Formula: C21H19 MolecularWeight: 271.37556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([CH][CH][CH]C1C#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC([CH][CH][CH]C1C#CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19/c1-3-8-18(9-4-1)14-15-19-10-7-13-21(17-16-19)20-11-5-2-6-12-20/h1-13,19,21H,16-17H2