1-butylsulfanyl-4-[6-(4-butylsulfanylphenyl)hexa-1,5-diynyl]benzene

Systemtic Name: 1-butylsulfanyl-4-[6-(4-butylsulfanylphenyl)hexa-1,5-diynyl]benzene Openeye Name: 1-butylsulfanyl-4-[6-(4-butylsulfanylphenyl)hexa-1,5-diynyl]benzene CAS Name: 1-(butylthio)-4-[6-[4-(butylthio)phenyl]hexa-1,5-diynyl]benzene IUPAC Name: 1-butylsulfanyl-4-[6-(4-butylsulfanylphenyl)hexa-1,5-diynyl]benzene Traditional Name: 1-(butylthio)-4-[6-[4-(butylthio)phenyl]hexa-1,5-diynyl]benzene Formula: C26H30S2 MolecularWeight: 406.6464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C#CCCC#CC2=CC=C(C=C2)SCCCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C#CCCC#CC2=CC=C(C=C2)SCCCC

InChI

InChI=1S/C26H30S2/c1-3-5-21-27-25-17-13-23(14-18-25)11-9-7-8-10-12-24-15-19-26(20-16-24)28-22-6-4-2/h13-20H,3-8,21-22H2,1-2H3