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

Systemtic Name: 4-hexyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-hexyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-hexyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-hexyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-hexyl-2-hex-1-ynyl-1-(2-phenylethynyl)benzene Formula: C26H30 MolecularWeight: 342.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C#CC2=CC=CC=C2)C#CCCCC

InChI

InChI=1S/C26H30/c1-3-5-7-10-16-24-19-21-25(20-18-23-14-11-9-12-15-23)26(22-24)17-13-8-6-4-2/h9,11-12,14-15,19,21-22H,3-8,10,16H2,1-2H3