S-[3,6,7,10,11-pentakis(decanoylsulfanyl)triphenylen-2-yl] decanethioate

Systemtic Name: S-[3,6,7,10,11-pentakis(decanoylsulfanyl)triphenylen-2-yl] decanethioate Openeye Name: S-[3,6,7,10,11-pentakis(decanoylsulfanyl)triphenylen-2-yl] decanethioate CAS Name: decanethioic acid S-[3,6,7,10,11-pentakis(1-oxodecylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(decanoylsulfanyl)triphenylen-2-yl] decanethioate Traditional Name: decanethioic acid S-[3,6,7,10,11-pentakis(caprylthio)triphenylen-2-yl] ester Formula: C78H120O6S6 MolecularWeight: 1346.1738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC)SC(=O)CCCCCCCCC

InChI

InChI=1S/C78H120O6S6/c1-7-13-19-25-31-37-43-49-73(79)85-67-55-61-62(56-68(67)86-74(80)50-44-38-32-26-20-14-8-2)64-58-70(88-76(82)52-46-40-34-28-22-16-10-4)72(90-78(84)54-48-42-36-30-24-18-12-6)60-66(64)65-59-71(89-77(83)53-47-41-35-29-23-17-11-5)69(57-63(61)65)87-75(81)51-45-39-33-27-21-15-9-3/h55-60H,7-54H2,1-6H3