8-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctan-1-ol

Systemtic Name: 8-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctan-1-ol Openeye Name: 8-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctan-1-ol CAS Name: 8-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-octanol IUPAC Name: 8-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctan-1-ol Traditional Name: 8-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]octan-1-ol Formula: C106H188OS6 MolecularWeight: 1671.01632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

InChI

InChI=1S/C106H188OS6/c1-6-11-16-21-26-31-36-41-46-51-56-62-69-76-83-108-101-89-95-96-90-102(109-84-77-70-63-57-52-47-42-37-32-27-22-17-12-7-2)104(111-86-79-72-65-59-54-49-44-39-34-29-24-19-14-9-4)92-98(96)100-94-106(113-88-81-74-67-61-68-75-82-107)105(112-87-80-73-66-60-55-50-45-40-35-30-25-20-15-10-5)93-99(100)97(95)91-103(101)110-85-78-71-64-58-53-48-43-38-33-28-23-18-13-8-3/h89-94,107H,6-88H2,1-5H3