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

Systemtic Name: 2,3,6,7,10,11-hexakis(nonylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(nonylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(nonylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(nonylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(nonylthio)triphenylene Formula: C72H120S6 MolecularWeight: 1178.1132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC

Isomeric SMILES

CCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC)SCCCCCCCCC

InChI

InChI=1S/C72H120S6/c1-7-13-19-25-31-37-43-49-73-67-55-61-62(56-68(67)74-50-44-38-32-26-20-14-8-2)64-58-70(76-52-46-40-34-28-22-16-10-4)72(78-54-48-42-36-30-24-18-12-6)60-66(64)65-59-71(77-53-47-41-35-29-23-17-11-5)69(57-63(61)65)75-51-45-39-33-27-21-15-9-3/h55-60H,7-54H2,1-6H3