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

Systemtic Name: 2-hept-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Openeye Name: 2-hept-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene CAS Name: 2-hept-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-hept-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Traditional Name: 2-hept-1-ynyl-4-octyl-1-(2-phenylethynyl)benzene Formula: C29H36 MolecularWeight: 384.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCCC

InChI

InChI=1S/C29H36/c1-3-5-7-9-11-13-19-27-22-24-28(23-21-26-17-14-12-15-18-26)29(25-27)20-16-10-8-6-4-2/h12,14-15,17-18,22,24-25H,3-11,13,19H2,1-2H3