(Z)-2,3-diethylbut-2-enedioic acid; 1-ethenyl-3-methyl-imidazol-3-ium; iodide

Systemtic Name: (Z)-2,3-diethylbut-2-enedioic acid; 1-ethenyl-3-methyl-imidazol-3-ium; iodide Openeye Name: (Z)-2,3-diethylbut-2-enedioic acid; 1-methyl-3-vinyl-imidazol-1-ium; iodide CAS Name: (Z)-2,3-diethyl-2-butenedioic acid; 1-ethenyl-3-methylimidazol-3-ium; iodide IUPAC Name: (Z)-2,3-diethylbut-2-enedioic acid; 1-ethenyl-3-methylimidazol-3-ium; iodide Traditional Name: (Z)-2,3-diethylbut-2-enedioic acid; 1-methyl-3-vinyl-imidazol-1-ium; iodide Formula: C14H21IN2O4 MolecularWeight: 408.23201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C(=O)O)C(=O)O.C[N+]1=CN(C=C1)C=C.[I-]

Isomeric SMILES

CC/C(=C(\CC)/C(=O)O)/C(=O)O.C[N+]1=CN(C=C1)C=C.[I-]

InChI

InChI=1S/C8H12O4.C6H9N2.HI/c1-3-5(7(9)10)6(4-2)8(11)12;1-3-8-5-4-7(2)6-8;/h3-4H2,1-2H3,(H,9,10)(H,11,12);3-6H,1H2,2H3;1H/q;+1;/p-1/b6-5-;;