13-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol

Systemtic Name: 13-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol Openeye Name: 13-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol CAS Name: 13-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-tridecanol IUPAC Name: 13-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyltridecan-1-ol Traditional Name: 13-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]tridecan-1-ol Formula: C111H198OS6 MolecularWeight: 1741.14922

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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)SCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C111H198OS6/c1-6-11-16-21-26-31-36-41-46-53-60-67-74-81-88-113-106-94-100-101-95-107(114-89-82-75-68-61-54-47-42-37-32-27-22-17-12-7-2)109(116-91-84-77-70-63-56-49-44-39-34-29-24-19-14-9-4)97-103(101)105-99-111(118-93-86-79-72-65-58-51-52-59-66-73-80-87-112)110(117-92-85-78-71-64-57-50-45-40-35-30-25-20-15-10-5)98-104(105)102(100)96-108(106)115-90-83-76-69-62-55-48-43-38-33-28-23-18-13-8-3/h94-99,112H,6-93H2,1-5H3