4-heptyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

InChI

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