[3-(2-butylsulfanylethylsulfanyl)-1-phenyl-hept-1-yn-3-yl]benzene

Systemtic Name: [3-(2-butylsulfanylethylsulfanyl)-1-phenyl-hept-1-yn-3-yl]benzene Openeye Name: [1-(2-butylsulfanylethylsulfanyl)-1-(2-phenylethynyl)pentyl]benzene CAS Name: [3-[2-(butylthio)ethylthio]-1-phenylhept-1-yn-3-yl]benzene IUPAC Name: [3-(2-butylsulfanylethylsulfanyl)-1-phenylhept-1-yn-3-yl]benzene Traditional Name: [1-butyl-1-[2-(butylthio)ethylthio]-3-phenyl-prop-2-ynyl]benzene Formula: C25H32S2 MolecularWeight: 396.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC1=CC=CC=C1)(C2=CC=CC=C2)SCCSCCCC

Isomeric SMILES

CCCCC(C#CC1=CC=CC=C1)(C2=CC=CC=C2)SCCSCCCC

InChI

InChI=1S/C25H32S2/c1-3-5-18-25(24-15-11-8-12-16-24,27-22-21-26-20-6-4-2)19-17-23-13-9-7-10-14-23/h7-16H,3-6,18,20-22H2,1-2H3