9-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonan-1-ol

Systemtic Name: 9-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonan-1-ol Openeye Name: 9-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonan-1-ol CAS Name: 9-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-nonanol IUPAC Name: 9-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylnonan-1-ol Traditional Name: 9-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]nonan-1-ol Formula: C107H190OS6 MolecularWeight: 1685.0429

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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)SCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C107H190OS6/c1-6-11-16-21-26-31-36-41-46-51-56-63-70-77-84-109-102-90-96-97-91-103(110-85-78-71-64-57-52-47-42-37-32-27-22-17-12-7-2)105(112-87-80-73-66-59-54-49-44-39-34-29-24-19-14-9-4)93-99(97)101-95-107(114-89-82-75-68-61-62-69-76-83-108)106(113-88-81-74-67-60-55-50-45-40-35-30-25-20-15-10-5)94-100(101)98(96)92-104(102)111-86-79-72-65-58-53-48-43-38-33-28-23-18-13-8-3/h90-95,108H,6-89H2,1-5H3