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

Systemtic Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-undec-10-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-undec-10-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(octylthio)-11-(undec-10-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-undec-10-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(octylthio)-11-(undec-10-enylthio)triphenylene Formula: C69H112S6 MolecularWeight: 1134.01758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCC)SCCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCC)SCCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

InChI

InChI=1S/C69H112S6/c1-7-13-19-25-31-32-33-39-45-51-75-69-57-63-61-55-67(73-49-43-37-29-23-17-11-5)65(71-47-41-35-27-21-15-9-3)53-59(61)58-52-64(70-46-40-34-26-20-14-8-2)66(72-48-42-36-28-22-16-10-4)54-60(58)62(63)56-68(69)74-50-44-38-30-24-18-12-6/h7,52-57H,1,8-51H2,2-6H3