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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide CAS Name: octanedioic acid bis[2-(4-methyl-3-octyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide Traditional Name: suberic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C36H62I2N2O4S2 MolecularWeight: 904.82742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N2O4S2.2HI/c1-5-7-9-11-15-19-25-37-29-43-33(31(37)3)23-27-41-35(39)21-17-13-14-18-22-36(40)42-28-24-34-32(4)38(30-44-34)26-20-16-12-10-8-6-2;;/h29-30H,5-28H2,1-4H3;2*1H/q+2;;/p-2