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

Systemtic Name: 4-butyl-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-butyl-2-hept-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-butyl-2-hept-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-butyl-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-butyl-2-hept-1-ynyl-1-(2-phenylethynyl)benzene Formula: C25H28 MolecularWeight: 328.48982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28/c1-3-5-7-8-12-16-25-21-23(13-6-4-2)18-20-24(25)19-17-22-14-10-9-11-15-22/h9-11,14-15,18,20-21H,3-8,13H2,1-2H3