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

Systemtic Name: bis[2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate diiodide Openeye Name: bis[2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl] hexanedioate diiodide CAS Name: hexanedioic acid bis[2-(3-ethyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate diiodide Traditional Name: adipic acid bis[2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C22H34I2N2O4S2 MolecularWeight: 708.4553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4S2.2HI/c1-5-23-15-29-19(17(23)3)11-13-27-21(25)9-7-8-10-22(26)28-14-12-20-18(4)24(6-2)16-30-20;;/h15-16H,5-14H2,1-4H3;2*1H/q+2;;/p-2