1-hept-1-ynyl-4-(2-phenylethynyl)benzene

Systemtic Name: 1-hept-1-ynyl-4-(2-phenylethynyl)benzene Openeye Name: 1-hept-1-ynyl-4-(2-phenylethynyl)benzene CAS Name: 1-hept-1-ynyl-4-(2-phenylethynyl)benzene IUPAC Name: 1-hept-1-ynyl-4-(2-phenylethynyl)benzene Traditional Name: 1-hept-1-ynyl-4-(2-phenylethynyl)benzene Formula: C21H20 MolecularWeight: 272.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCC#CC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H20/c1-2-3-4-5-7-12-20-14-17-21(18-15-20)16-13-19-10-8-6-9-11-19/h6,8-11,14-15,17-18H,2-5H2,1H3