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

Systemtic Name: 10-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldecan-1-ol Openeye Name: 10-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldecan-1-ol CAS Name: 10-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-decanol IUPAC Name: 10-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldecan-1-ol Traditional Name: 10-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]decan-1-ol Formula: C108H192OS6 MolecularWeight: 1699.06948

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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)SCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C108H192OS6/c1-6-11-16-21-26-31-36-41-46-51-57-64-71-78-85-110-103-91-97-98-92-104(111-86-79-72-65-58-52-47-42-37-32-27-22-17-12-7-2)106(113-88-81-74-67-60-54-49-44-39-34-29-24-19-14-9-4)94-100(98)102-96-108(115-90-83-76-69-62-56-63-70-77-84-109)107(114-89-82-75-68-61-55-50-45-40-35-30-25-20-15-10-5)95-101(102)99(97)93-105(103)112-87-80-73-66-59-53-48-43-38-33-28-23-18-13-8-3/h91-96,109H,6-90H2,1-5H3