18-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol

Systemtic Name: 18-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol Openeye Name: 18-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol CAS Name: 18-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-octadecanol IUPAC Name: 18-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol Traditional Name: 18-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]octadecan-1-ol Formula: C116H208OS6 MolecularWeight: 1811.28212

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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)SCCCCCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C116H208OS6/c1-6-11-16-21-26-31-36-41-51-58-65-72-79-86-93-118-111-99-105-106-100-112(119-94-87-80-73-66-59-52-42-37-32-27-22-17-12-7-2)114(121-96-89-82-75-68-61-54-44-39-34-29-24-19-14-9-4)102-108(106)110-104-116(123-98-91-84-77-70-63-56-49-47-46-48-50-57-64-71-78-85-92-117)115(122-97-90-83-76-69-62-55-45-40-35-30-25-20-15-10-5)103-109(110)107(105)101-113(111)120-95-88-81-74-67-60-53-43-38-33-28-23-18-13-8-3/h99-104,117H,6-98H2,1-5H3