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

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-oct-7-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-oct-7-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(oct-7-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-oct-7-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(hexylthio)-11-(oct-7-enylthio)triphenylene Formula: C56H86S6 MolecularWeight: 951.67204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H86S6/c1-7-13-19-25-26-32-38-62-56-44-50-48-42-54(60-36-30-23-17-11-5)52(58-34-28-21-15-9-3)40-46(48)45-39-51(57-33-27-20-14-8-2)53(59-35-29-22-16-10-4)41-47(45)49(50)43-55(56)61-37-31-24-18-12-6/h7,39-44H,1,8-38H2,2-6H3