2,3,6,7,10,11-hexakis(octylsulfanyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(octylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(octylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(octylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(octylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(octylthio)triphenylene Formula: C66H108S6 MolecularWeight: 1093.95372

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)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C66H108S6/c1-7-13-19-25-31-37-43-67-61-49-55-56(50-62(61)68-44-38-32-26-20-14-8-2)58-52-64(70-46-40-34-28-22-16-10-4)66(72-48-42-36-30-24-18-12-6)54-60(58)59-53-65(71-47-41-35-29-23-17-11-5)63(51-57(55)59)69-45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3