1,2,3,4,5,6-hexakis(tridecylsulfanyl)benzene

Systemtic Name: 1,2,3,4,5,6-hexakis(tridecylsulfanyl)benzene Openeye Name: 1,2,3,4,5,6-hexakis(tridecylsulfanyl)benzene CAS Name: 1,2,3,4,5,6-hexakis(tridecylthio)benzene IUPAC Name: 1,2,3,4,5,6-hexakis(tridecylsulfanyl)benzene Traditional Name: 1,2,3,4,5,6-hexakis(tridecylthio)benzene Formula: C84H162S6 MolecularWeight: 1364.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=C(C(=C(C(=C1SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCSC1=C(C(=C(C(=C1SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

InChI

InChI=1S/C84H162S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-85-79-80(86-74-68-62-56-50-44-38-32-26-20-14-8-2)82(88-76-70-64-58-52-46-40-34-28-22-16-10-4)84(90-78-72-66-60-54-48-42-36-30-24-18-12-6)83(89-77-71-65-59-53-47-41-35-29-23-17-11-5)81(79)87-75-69-63-57-51-45-39-33-27-21-15-9-3/h7-78H2,1-6H3