[5-[1-(2-methylpentadecan-2-ylsulfanyl)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(2-methylpentadecan-2-ylsulfanyl)heptyl sulfate

Systemtic Name: [5-[1-(2-methylpentadecan-2-ylsulfanyl)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(2-methylpentadecan-2-ylsulfanyl)heptyl sulfate Openeye Name: [5-[1-(1,1-dimethyltetradecylsulfanyl)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(1,1-dimethyltetradecylsulfanyl)heptyl sulfate CAS Name: sulfuric acid [5-[1-(2-methylpentadecan-2-ylthio)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(2-methylpentadecan-2-ylthio)heptyl ester IUPAC Name: [5-[1-(2-methylpentadecan-2-ylsulfanyl)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(2-methylpentadecan-2-ylsulfanyl)heptyl sulfate Traditional Name: sulfuric acid [5-[1-(1,1-dimethyltetradecylthio)heptoxysulfonyloxy]-1,3,4-thiadiazol-2-yl] 1-(1,1-dimethyltetradecylthio)heptyl ester Formula: C48H94N2O8S5 MolecularWeight: 987.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C)(C)SC(CCCCCC)OS(=O)(=O)OC1=NN=C(S1)OS(=O)(=O)OC(CCCCCC)SC(C)(C)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(C)(C)SC(CCCCCC)OS(=O)(=O)OC1=NN=C(S1)OS(=O)(=O)OC(CCCCCC)SC(C)(C)CCCCCCCCCCCCC

InChI

InChI=1S/C48H94N2O8S5/c1-9-13-17-21-23-25-27-29-31-33-37-41-47(5,6)60-43(39-35-19-15-11-3)55-62(51,52)57-45-49-50-46(59-45)58-63(53,54)56-44(40-36-20-16-12-4)61-48(7,8)42-38-34-32-30-28-26-24-22-18-14-10-2/h43-44H,9-42H2,1-8H3