16-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexadecan-1-ol

Systemtic Name: 16-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexadecan-1-ol Openeye Name: 16-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexadecan-1-ol CAS Name: 16-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-hexadecanol IUPAC Name: 16-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylhexadecan-1-ol Traditional Name: 16-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]hexadecan-1-ol Formula: C114H204OS6 MolecularWeight: 1783.22896

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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)SCCCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C114H204OS6/c1-6-11-16-21-26-31-36-41-49-56-63-70-77-84-91-116-109-97-103-104-98-110(117-92-85-78-71-64-57-50-42-37-32-27-22-17-12-7-2)112(119-94-87-80-73-66-59-52-44-39-34-29-24-19-14-9-4)100-106(104)108-102-114(121-96-89-82-75-68-61-54-47-46-48-55-62-69-76-83-90-115)113(120-95-88-81-74-67-60-53-45-40-35-30-25-20-15-10-5)101-107(108)105(103)99-111(109)118-93-86-79-72-65-58-51-43-38-33-28-23-18-13-8-3/h97-102,115H,6-96H2,1-5H3