6-(1-dodecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-dodecylpyridin-1-ium-4-carboxylate diiodide

Systemtic Name: 6-(1-dodecylpyridin-1-ium-4-yl)carbonyloxyhexyl 1-dodecylpyridin-1-ium-4-carboxylate diiodide Openeye Name: 6-(1-dodecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-dodecylpyridin-1-ium-4-carboxylate diiodide CAS Name: 1-dodecyl-4-pyridin-1-iumcarboxylic acid 6-[(1-dodecyl-4-pyridin-1-iumyl)-oxomethoxy]hexyl ester diiodide IUPAC Name: 6-(1-dodecylpyridin-1-ium-4-carbonyl)oxyhexyl 1-dodecylpyridin-1-ium-4-carboxylate diiodide Traditional Name: 1-laurylpyridin-1-ium-4-carboxylic acid 6-(1-laurylpyridin-1-ium-4-carbonyl)oxyhexyl ester diiodide Formula: C42H70I2N2O4 MolecularWeight: 920.82514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCCCCCC.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=[N+](C=C2)CCCCCCCCCCCC.[I-].[I-]

InChI

InChI=1S/C42H70N2O4.2HI/c1-3-5-7-9-11-13-15-17-19-23-31-43-33-27-39(28-34-43)41(45)47-37-25-21-22-26-38-48-42(46)40-29-35-44(36-30-40)32-24-20-18-16-14-12-10-8-6-4-2;;/h27-30,33-36H,3-26,31-32,37-38H2,1-2H3;2*1H/q+2;;/p-2