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

Systemtic Name: 11-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylundecan-1-ol Openeye Name: 11-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylundecan-1-ol CAS Name: 11-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-undecanol IUPAC Name: 11-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylundecan-1-ol Traditional Name: 11-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]undecan-1-ol Formula: C109H194OS6 MolecularWeight: 1713.09606

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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)SCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C109H194OS6/c1-6-11-16-21-26-31-36-41-46-51-58-65-72-79-86-111-104-92-98-99-93-105(112-87-80-73-66-59-52-47-42-37-32-27-22-17-12-7-2)107(114-89-82-75-68-61-54-49-44-39-34-29-24-19-14-9-4)95-101(99)103-97-109(116-91-84-77-70-63-56-57-64-71-78-85-110)108(115-90-83-76-69-62-55-50-45-40-35-30-25-20-15-10-5)96-102(103)100(98)94-106(104)113-88-81-74-67-60-53-48-43-38-33-28-23-18-13-8-3/h92-97,110H,6-91H2,1-5H3