bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide

Systemtic Name: bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide Openeye Name: bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide CAS Name: decanedioic acid bis[2-(3-decyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-decyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide Traditional Name: sebacic acid bis[2-(3-decyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C42H74I2N2O4S2 MolecularWeight: 988.9869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCC)C.[I-].[I-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CSC(=C1C)CCOC(=O)CCCCCCCCC(=O)OCCC2=C([N+](=CS2)CCCCCCCCCC)C.[I-].[I-]

InChI

InChI=1S/C42H74N2O4S2.2HI/c1-5-7-9-11-13-17-21-25-31-43-35-49-39(37(43)3)29-33-47-41(45)27-23-19-15-16-20-24-28-42(46)48-34-30-40-38(4)44(36-50-40)32-26-22-18-14-12-10-8-6-2;;/h35-36H,5-34H2,1-4H3;2*1H/q+2;;/p-2