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

Systemtic Name: S-[3,6,7,10,11-pentakis(nonanoylsulfanyl)triphenylen-2-yl] nonanethioate Openeye Name: S-[3,6,7,10,11-pentakis(nonanoylsulfanyl)triphenylen-2-yl] nonanethioate CAS Name: nonanethioic acid S-[3,6,7,10,11-pentakis(1-oxononylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(nonanoylsulfanyl)triphenylen-2-yl] nonanethioate Traditional Name: nonanethioic acid S-[3,6,7,10,11-pentakis(pelargonylthio)triphenylen-2-yl] ester Formula: C72H108O6S6 MolecularWeight: 1262.01432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C72H108O6S6/c1-7-13-19-25-31-37-43-67(73)79-61-49-55-56(50-62(61)80-68(74)44-38-32-26-20-14-8-2)58-52-64(82-70(76)46-40-34-28-22-16-10-4)66(84-72(78)48-42-36-30-24-18-12-6)54-60(58)59-53-65(83-71(77)47-41-35-29-23-17-11-5)63(51-57(55)59)81-69(75)45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3