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

Systemtic Name: 2,3,6,7,10,11-hexakis(tridecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(tridecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(tridecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(tridecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(tridecylthio)triphenylene Formula: C96H168S6 MolecularWeight: 1514.75112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

InChI

InChI=1S/C96H168S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-97-91-79-85-86(80-92(91)98-74-68-62-56-50-44-38-32-26-20-14-8-2)88-82-94(100-76-70-64-58-52-46-40-34-28-22-16-10-4)96(102-78-72-66-60-54-48-42-36-30-24-18-12-6)84-90(88)89-83-95(101-77-71-65-59-53-47-41-35-29-23-17-11-5)93(81-87(85)89)99-75-69-63-57-51-45-39-33-27-21-15-9-3/h79-84H,7-78H2,1-6H3