1,2,3,4,5-pentakis(tridecylsulfanyl)-6-undec-10-enylsulfanyl-benzene

Systemtic Name: 1,2,3,4,5-pentakis(tridecylsulfanyl)-6-undec-10-enylsulfanyl-benzene Openeye Name: 1,2,3,4,5-pentakis(tridecylsulfanyl)-6-undec-10-enylsulfanyl-benzene CAS Name: 1,2,3,4,5-pentakis(tridecylthio)-6-(undec-10-enylthio)benzene IUPAC Name: 1,2,3,4,5-pentakis(tridecylsulfanyl)-6-undec-10-enylsulfanylbenzene Traditional Name: 1,2,3,4,5-pentakis(tridecylthio)-6-(undec-10-enylthio)benzene Formula: C82H156S6 MolecularWeight: 1334.50604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C82H156S6/c1-7-13-19-25-31-37-42-48-54-60-66-72-84-78-77(83-71-65-59-53-47-36-30-24-18-12-6)79(85-73-67-61-55-49-43-38-32-26-20-14-8-2)81(87-75-69-63-57-51-45-40-34-28-22-16-10-4)82(88-76-70-64-58-52-46-41-35-29-23-17-11-5)80(78)86-74-68-62-56-50-44-39-33-27-21-15-9-3/h12H,6-11,13-76H2,1-5H3