diethyl (Z)-but-2-enedioate; 1-ethenyl-3-methyl-imidazol-3-ium; iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O4.C6H9N2.HI/c1-3-11-7(9)5-6-8(10)12-4-2;1-3-8-5-4-7(2)6-8;/h5-6H,3-4H2,1-2H3;3-6H,1H2,2H3;1H/q;+1;/p-1/b6-5-;;