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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate diiodide Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] hexanedioate diiodide CAS Name: hexanedioic 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] hexanedioate diiodide Traditional Name: adipic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C34H58I2N2O4S2 MolecularWeight: 876.77426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N2O4S2.2HI/c1-5-7-9-11-13-17-23-35-27-41-31(29(35)3)21-25-39-33(37)19-15-16-20-34(38)40-26-22-32-30(4)36(28-42-32)24-18-14-12-10-8-6-2;;/h27-28H,5-26H2,1-4H3;2*1H/q+2;;/p-2