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

Systemtic Name: 7-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol Openeye Name: 7-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol CAS Name: 7-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-heptanol IUPAC Name: 7-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol Traditional Name: 7-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]heptan-1-ol Formula: C105H186OS6 MolecularWeight: 1656.98974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C105H186OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-68-75-82-107-100-88-94-95-89-101(108-83-76-69-62-57-52-47-42-37-32-27-22-17-12-7-2)103(110-85-78-71-64-59-54-49-44-39-34-29-24-19-14-9-4)91-97(95)99-93-105(112-87-80-73-66-67-74-81-106)104(111-86-79-72-65-60-55-50-45-40-35-30-25-20-15-10-5)92-98(99)96(94)90-102(100)109-84-77-70-63-58-53-48-43-38-33-28-23-18-13-8-3/h88-93,106H,6-87H2,1-5H3