(E)-1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethenolate

Systemtic Name: (E)-1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethenolate Openeye Name: (E)-1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethenolate CAS Name: (E)-1-(4-iodophenyl)-2-(4-methyl-1-pyrimidin-1-iumyl)ethenolate IUPAC Name: (E)-1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethenolate Traditional Name: (E)-1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethenolate Formula: C13H11IN2O MolecularWeight: 338.14371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](C=C1)C=C(C2=CC=C(C=C2)I)[O-]

Isomeric SMILES

CC1=NC=[N+](C=C1)/C=C(\C2=CC=C(C=C2)I)/[O-]

InChI

InChI=1S/C13H11IN2O/c1-10-6-7-16(9-15-10)8-13(17)11-2-4-12(14)5-3-11/h2-9H,1H3/b13-8+