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

Systemtic Name: bis[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide Openeye Name: bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] decanedioate diiodide CAS Name: decanedioic 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] decanedioate diiodide Traditional Name: sebacic acid bis[2-(4-methyl-3-octyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C38H66I2N2O4S2 MolecularWeight: 932.88058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H66N2O4S2.2HI/c1-5-7-9-11-17-21-27-39-31-45-35(33(39)3)25-29-43-37(41)23-19-15-13-14-16-20-24-38(42)44-30-26-36-34(4)40(32-46-36)28-22-18-12-10-8-6-2;;/h31-32H,5-30H2,1-4H3;2*1H/q+2;;/p-2