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

Systemtic Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Openeye Name: bis[2-(4-methyl-3-tetradecyl-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide CAS Name: butanedioic acid bis[2-(4-methyl-3-tetradecyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(4-methyl-3-tetradecyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Traditional Name: succinic acid bis[2-(4-methyl-3-myristyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C44H78I2N2O4S2 MolecularWeight: 1017.04006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78N2O4S2.2HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-33-45-37-51-41(39(45)3)31-35-49-43(47)29-30-44(48)50-36-32-42-40(4)46(38-52-42)34-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h37-38H,5-36H2,1-4H3;2*1H/q+2;;/p-2