2-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylethanol

Systemtic Name: 2-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylethanol Openeye Name: 2-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylethanol CAS Name: 2-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]ethanol IUPAC Name: 2-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylethanol Traditional Name: 2-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]ethanol Formula: C100H176OS6 MolecularWeight: 1586.85684

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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)SCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C100H176OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-77-102-95-83-89-90-84-96(103-78-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)98(105-80-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)86-92(90)94-88-100(107-82-76-101)99(106-81-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)87-93(94)91(89)85-97(95)104-79-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3/h83-88,101H,6-82H2,1-5H3