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

Systemtic Name: 2,3,6,7,10,11-hexakis(dodecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(dodecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(dodecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(dodecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(laurylthio)triphenylene Formula: C90H156S6 MolecularWeight: 1430.59164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC)SCCCCCCCCCCCC

InChI

InChI=1S/C90H156S6/c1-7-13-19-25-31-37-43-49-55-61-67-91-85-73-79-80(74-86(85)92-68-62-56-50-44-38-32-26-20-14-8-2)82-76-88(94-70-64-58-52-46-40-34-28-22-16-10-4)90(96-72-66-60-54-48-42-36-30-24-18-12-6)78-84(82)83-77-89(95-71-65-59-53-47-41-35-29-23-17-11-5)87(75-81(79)83)93-69-63-57-51-45-39-33-27-21-15-9-3/h73-78H,7-72H2,1-6H3