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

Systemtic Name: 4-octyl-2-pent-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-octyl-2-pent-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-octyl-2-pent-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-octyl-2-pent-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-octyl-2-pent-1-ynyl-1-(2-phenylethynyl)benzene Formula: C27H32 MolecularWeight: 356.54298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32/c1-3-5-7-8-9-12-17-25-20-22-26(27(23-25)18-11-6-4-2)21-19-24-15-13-10-14-16-24/h10,13-16,20,22-23H,3-9,12,17H2,1-2H3