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

Systemtic Name: S-[3,6,7,10,11-pentakis(hexanoylsulfanyl)triphenylen-2-yl] hexanethioate Openeye Name: S-[3,6,7,10,11-pentakis(hexanoylsulfanyl)triphenylen-2-yl] hexanethioate CAS Name: hexanethioic acid S-[3,6,7,10,11-pentakis(1-oxohexylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(hexanoylsulfanyl)triphenylen-2-yl] hexanethioate Traditional Name: hexanethioic acid S-[3,6,7,10,11-pentakis(caproylthio)triphenylen-2-yl] ester Formula: C54H72O6S6 MolecularWeight: 1009.53588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC)SC(=O)CCCCC

InChI

InChI=1S/C54H72O6S6/c1-7-13-19-25-49(55)61-43-31-37-38(32-44(43)62-50(56)26-20-14-8-2)40-34-46(64-52(58)28-22-16-10-4)48(66-54(60)30-24-18-12-6)36-42(40)41-35-47(65-53(59)29-23-17-11-5)45(33-39(37)41)63-51(57)27-21-15-9-3/h31-36H,7-30H2,1-6H3