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

Systemtic Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Openeye Name: bis[2-(3-hexadecyl-4-methyl-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide CAS Name: butanedioic acid bis[2-(3-hexadecyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate diiodide Traditional Name: succinic acid bis[2-(3-cetyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C48H86I2N2O4S2 MolecularWeight: 1073.14638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H86N2O4S2.2HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-49-41-55-45(43(49)3)35-39-53-47(51)33-34-48(52)54-40-36-46-44(4)50(42-56-46)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h41-42H,5-40H2,1-4H3;2*1H/q+2;;/p-2