17-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptadecan-1-ol

Systemtic Name: 17-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptadecan-1-ol Openeye Name: 17-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptadecan-1-ol CAS Name: 17-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-heptadecanol IUPAC Name: 17-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylheptadecan-1-ol Traditional Name: 17-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]heptadecan-1-ol Formula: C115H206OS6 MolecularWeight: 1797.25554

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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)SCCCCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C115H206OS6/c1-6-11-16-21-26-31-36-41-50-57-64-71-78-85-92-117-110-98-104-105-99-111(118-93-86-79-72-65-58-51-42-37-32-27-22-17-12-7-2)113(120-95-88-81-74-67-60-53-44-39-34-29-24-19-14-9-4)101-107(105)109-103-115(122-97-90-83-76-69-62-55-48-46-47-49-56-63-70-77-84-91-116)114(121-96-89-82-75-68-61-54-45-40-35-30-25-20-15-10-5)102-108(109)106(104)100-112(110)119-94-87-80-73-66-59-52-43-38-33-28-23-18-13-8-3/h98-103,116H,6-97H2,1-5H3