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

Systemtic Name: 2,3,6,7,10,11-hexakis(pentadecylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(pentadecylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(pentadecylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(pentadecylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(pentadecylthio)triphenylene Formula: C108H192S6 MolecularWeight: 1683.07008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCC

InChI

InChI=1S/C108H192S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-109-103-91-97-98(92-104(103)110-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)100-94-106(112-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)108(114-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)96-102(100)101-95-107(113-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)105(93-99(97)101)111-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h91-96H,7-90H2,1-6H3