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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide CAS Name: butanedioic 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] butanedioate diiodide Traditional Name: succinic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C32H54I2N2O4S2 MolecularWeight: 848.7211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H54N2O4S2.2HI/c1-5-7-9-11-13-15-21-33-25-39-29(27(33)3)19-23-37-31(35)17-18-32(36)38-24-20-30-28(4)34(26-40-30)22-16-14-12-10-8-6-2;;/h25-26H,5-24H2,1-4H3;2*1H/q+2;;/p-2