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

Systemtic Name: 6-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexan-1-ol Openeye Name: 6-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexan-1-ol CAS Name: 6-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-hexanol IUPAC Name: 6-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexan-1-ol Traditional Name: 6-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]hexan-1-ol Formula: C104H184OS6 MolecularWeight: 1642.96316

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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)SCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C104H184OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-67-74-81-106-99-87-93-94-88-100(107-82-75-68-62-57-52-47-42-37-32-27-22-17-12-7-2)102(109-84-77-70-64-59-54-49-44-39-34-29-24-19-14-9-4)90-96(94)98-92-104(111-86-79-72-66-73-80-105)103(110-85-78-71-65-60-55-50-45-40-35-30-25-20-15-10-5)91-97(98)95(93)89-101(99)108-83-76-69-63-58-53-48-43-38-33-28-23-18-13-8-3/h87-92,105H,6-86H2,1-5H3