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

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-undec-10-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-undec-10-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(undec-10-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-undec-10-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(hexylthio)-11-(undec-10-enylthio)triphenylene Formula: C59H92S6 MolecularWeight: 993.75178

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)SCCCCCCCCCC=C)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C59H92S6/c1-7-13-19-25-26-27-28-29-35-41-65-59-47-53-51-45-57(63-39-33-23-17-11-5)55(61-37-31-21-15-9-3)43-49(51)48-42-54(60-36-30-20-14-8-2)56(62-38-32-22-16-10-4)44-50(48)52(53)46-58(59)64-40-34-24-18-12-6/h7,42-47H,1,8-41H2,2-6H3