13-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol

Systemtic Name: 13-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol Openeye Name: 13-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol CAS Name: 13-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-tridecanol IUPAC Name: 13-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol Traditional Name: 13-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]tridecan-1-ol Formula: C61H98OS6 MolecularWeight: 1039.82022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

InChI

InChI=1S/C61H98OS6/c1-6-11-16-31-38-63-56-44-50-51-45-57(64-39-32-17-12-7-2)59(66-41-34-19-14-9-4)47-53(51)55-49-61(68-43-36-29-27-25-23-21-22-24-26-28-30-37-62)60(67-42-35-20-15-10-5)48-54(55)52(50)46-58(56)65-40-33-18-13-8-3/h44-49,62H,6-43H2,1-5H3