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

Systemtic Name: S-[3,6,7,10,11-pentakis(octanoylsulfanyl)triphenylen-2-yl] octanethioate Openeye Name: S-[3,6,7,10,11-pentakis(octanoylsulfanyl)triphenylen-2-yl] octanethioate CAS Name: octanethioic acid S-[3,6,7,10,11-pentakis(1-oxooctylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(octanoylsulfanyl)triphenylen-2-yl] octanethioate Traditional Name: octanethioic acid S-[3,6,7,10,11-pentakis(caprylylthio)triphenylen-2-yl] ester Formula: C66H96O6S6 MolecularWeight: 1177.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC)SC(=O)CCCCCCC

InChI

InChI=1S/C66H96O6S6/c1-7-13-19-25-31-37-61(67)73-55-43-49-50(44-56(55)74-62(68)38-32-26-20-14-8-2)52-46-58(76-64(70)40-34-28-22-16-10-4)60(78-66(72)42-36-30-24-18-12-6)48-54(52)53-47-59(77-65(71)41-35-29-23-17-11-5)57(45-51(49)53)75-63(69)39-33-27-21-15-9-3/h43-48H,7-42H2,1-6H3