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

Systemtic Name: 18-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol Openeye Name: 18-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol CAS Name: 18-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-octadecanol IUPAC Name: 18-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanyloctadecan-1-ol Traditional Name: 18-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]octadecan-1-ol Formula: C66H108OS6 MolecularWeight: 1109.95312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

InChI

InChI=1S/C66H108OS6/c1-6-11-16-36-43-68-61-49-55-56-50-62(69-44-37-17-12-7-2)64(71-46-39-19-14-9-4)52-58(56)60-54-66(73-48-41-34-32-30-28-26-24-22-21-23-25-27-29-31-33-35-42-67)65(72-47-40-20-15-10-5)53-59(60)57(55)51-63(61)70-45-38-18-13-8-3/h49-54,67H,6-48H2,1-5H3