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

Systemtic Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide Openeye Name: bis[2-(3-dodecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide CAS Name: decanedioic acid bis[2-(3-dodecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide Traditional Name: sebacic acid bis[2-(3-lauryl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C46H82I2N2O4S2 MolecularWeight: 1045.09322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H82N2O4S2.2HI/c1-5-7-9-11-13-15-17-21-25-29-35-47-39-53-43(41(47)3)33-37-51-45(49)31-27-23-19-20-24-28-32-46(50)52-38-34-44-42(4)48(40-54-44)36-30-26-22-18-16-14-12-10-8-6-2;;/h39-40H,5-38H2,1-4H3;2*1H/q+2;;/p-2