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

Systemtic Name: S-[3,6,7,10,11-pentakis(butanoylsulfanyl)triphenylen-2-yl] butanethioate Openeye Name: S-[3,6,7,10,11-pentakis(butanoylsulfanyl)triphenylen-2-yl] butanethioate CAS Name: butanethioic acid S-[3,6,7,10,11-pentakis(1-oxobutylthio)-2-triphenylenyl] ester IUPAC Name: S-[3,6,7,10,11-pentakis(butanoylsulfanyl)triphenylen-2-yl] butanethioate Traditional Name: butanethioic acid S-[3,6,7,10,11-pentakis(butyrylthio)triphenylen-2-yl] ester Formula: C42H48O6S6 MolecularWeight: 841.21692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC

Isomeric SMILES

CCCC(=O)SC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC)SC(=O)CCC

InChI

InChI=1S/C42H48O6S6/c1-7-13-37(43)49-31-19-25-26(20-32(31)50-38(44)14-8-2)28-22-34(52-40(46)16-10-4)36(54-42(48)18-12-6)24-30(28)29-23-35(53-41(47)17-11-5)33(21-27(25)29)51-39(45)15-9-3/h19-24H,7-18H2,1-6H3