2-(15-chloranylhexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene

Systemtic Name: 2-(15-chloranylhexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Openeye Name: 2-(15-chlorohexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene CAS Name: 2-(15-chlorohexadec-15-enylthio)-3,6,7,10,11-pentakis(hexylthio)triphenylene IUPAC Name: 2-(15-chlorohexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Traditional Name: 2-(15-chlorohexadec-15-enylthio)-3,6,7,10,11-pentakis(hexylthio)triphenylene Formula: C64H101ClS6 MolecularWeight: 1098.32974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCC(=C)Cl)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCC(=C)Cl)SCCCCCC)SCCCCCC)SCCCCCC

InChI

InChI=1S/C64H101ClS6/c1-7-12-17-33-40-66-59-46-53-54-47-60(67-41-34-18-13-8-2)62(69-43-36-20-15-10-4)49-56(54)58-51-64(71-45-38-31-29-27-25-23-22-24-26-28-30-32-39-52(6)65)63(70-44-37-21-16-11-5)50-57(58)55(53)48-61(59)68-42-35-19-14-9-3/h46-51H,6-45H2,1-5H3