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

Systemtic Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide Openeye Name: bis[2-(3-dodecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide CAS Name: octanedioic acid bis[2-(3-dodecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] octanedioate diiodide Traditional Name: suberic acid bis[2-(3-lauryl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C44H78I2N2O4S2 MolecularWeight: 1017.04006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78N2O4S2.2HI/c1-5-7-9-11-13-15-17-19-23-27-33-45-37-51-41(39(45)3)31-35-49-43(47)29-25-21-22-26-30-44(48)50-36-32-42-40(4)46(38-52-42)34-28-24-20-18-16-14-12-10-8-6-2;;/h37-38H,5-36H2,1-4H3;2*1H/q+2;;/p-2