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

Systemtic Name: 4-octyl-2-oct-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-octyl-2-oct-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-octyl-2-oct-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-octyl-2-oct-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-octyl-2-oct-1-ynyl-1-(2-phenylethynyl)benzene Formula: C30H38 MolecularWeight: 398.62272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38/c1-3-5-7-9-11-14-20-28-23-25-29(24-22-27-18-15-13-16-19-27)30(26-28)21-17-12-10-8-6-4-2/h13,15-16,18-19,23,25-26H,3-12,14,20H2,1-2H3