1-octyl-4-(2-phenylsulfanylethynyl)benzene

Systemtic Name: 1-octyl-4-(2-phenylsulfanylethynyl)benzene Openeye Name: 1-octyl-4-(2-phenylsulfanylethynyl)benzene CAS Name: 1-octyl-4-[2-(phenylthio)ethynyl]benzene IUPAC Name: 1-octyl-4-(2-phenylsulfanylethynyl)benzene Traditional Name: 1-octyl-4-[2-(phenylthio)ethynyl]benzene Formula: C22H26S MolecularWeight: 322.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CSC2=CC=CC=C2

InChI

InChI=1S/C22H26S/c1-2-3-4-5-6-8-11-20-14-16-21(17-15-20)18-19-23-22-12-9-7-10-13-22/h7,9-10,12-17H,2-6,8,11H2,1H3