12-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldodecan-1-ol

Systemtic Name: 12-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldodecan-1-ol Openeye Name: 12-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldodecan-1-ol CAS Name: 12-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-dodecanol IUPAC Name: 12-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanyldodecan-1-ol Traditional Name: 12-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]dodecan-1-ol Formula: C110H196OS6 MolecularWeight: 1727.12264

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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)SCCCCCCCCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C110H196OS6/c1-6-11-16-21-26-31-36-41-46-52-59-66-73-80-87-112-105-93-99-100-94-106(113-88-81-74-67-60-53-47-42-37-32-27-22-17-12-7-2)108(115-90-83-76-69-62-55-49-44-39-34-29-24-19-14-9-4)96-102(100)104-98-110(117-92-85-78-71-64-57-51-58-65-72-79-86-111)109(116-91-84-77-70-63-56-50-45-40-35-30-25-20-15-10-5)97-103(104)101(99)95-107(105)114-89-82-75-68-61-54-48-43-38-33-28-23-18-13-8-3/h93-98,111H,6-92H2,1-5H3