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

Systemtic Name: 7-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol Openeye Name: 7-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol CAS Name: 7-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-heptanol IUPAC Name: 7-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylheptan-1-ol Traditional Name: 7-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]heptan-1-ol Formula: C55H86OS6 MolecularWeight: 955.66074

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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)SCCCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C55H86OS6/c1-6-11-16-25-32-57-50-38-44-45-39-51(58-33-26-17-12-7-2)53(60-35-28-19-14-9-4)41-47(45)49-43-55(62-37-30-23-21-22-24-31-56)54(61-36-29-20-15-10-5)42-48(49)46(44)40-52(50)59-34-27-18-13-8-3/h38-43,56H,6-37H2,1-5H3