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

Systemtic Name: 2,3,6,7,10,11-hexakis(heptylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(heptylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(heptylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(heptylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(heptylthio)triphenylene Formula: C60H96S6 MolecularWeight: 1009.79424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCC)SCCCCCCC)SCCCCCCC)SCCCCCCC)SCCCCCCC

Isomeric SMILES

CCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCC)SCCCCCCC)SCCCCCCC)SCCCCCCC)SCCCCCCC

InChI

InChI=1S/C60H96S6/c1-7-13-19-25-31-37-61-55-43-49-50(44-56(55)62-38-32-26-20-14-8-2)52-46-58(64-40-34-28-22-16-10-4)60(66-42-36-30-24-18-12-6)48-54(52)53-47-59(65-41-35-29-23-17-11-5)57(45-51(49)53)63-39-33-27-21-15-9-3/h43-48H,7-42H2,1-6H3