15-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentadecan-1-ol

Systemtic Name: 15-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentadecan-1-ol Openeye Name: 15-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentadecan-1-ol CAS Name: 15-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-pentadecanol IUPAC Name: 15-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentadecan-1-ol Traditional Name: 15-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]pentadecan-1-ol Formula: C113H202OS6 MolecularWeight: 1769.20238

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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)SCCCCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C113H202OS6/c1-6-11-16-21-26-31-36-41-48-55-62-69-76-83-90-115-108-96-102-103-97-109(116-91-84-77-70-63-56-49-42-37-32-27-22-17-12-7-2)111(118-93-86-79-72-65-58-51-44-39-34-29-24-19-14-9-4)99-105(103)107-101-113(120-95-88-81-74-67-60-53-46-47-54-61-68-75-82-89-114)112(119-94-87-80-73-66-59-52-45-40-35-30-25-20-15-10-5)100-106(107)104(102)98-110(108)117-92-85-78-71-64-57-50-43-38-33-28-23-18-13-8-3/h96-101,114H,6-95H2,1-5H3