2-[3-[2,5-bis(oxidanyl)phenyl]-2-methyl-imidazol-3-ium-1-yl]-4-oxidanyl-phenolate

Systemtic Name: 2-[3-[2,5-bis(oxidanyl)phenyl]-2-methyl-imidazol-3-ium-1-yl]-4-oxidanyl-phenolate Openeye Name: 2-[3-(2,5-dihydroxyphenyl)-2-methyl-imidazol-3-ium-1-yl]-4-hydroxy-phenolate CAS Name: 2-[3-(2,5-dihydroxyphenyl)-2-methyl-1-imidazol-3-iumyl]-4-hydroxyphenolate IUPAC Name: 2-[3-(2,5-dihydroxyphenyl)-2-methylimidazol-3-ium-1-yl]-4-hydroxyphenolate Traditional Name: 2-[3-(2,5-dihydroxyphenyl)-2-methyl-imidazol-3-ium-1-yl]-4-hydroxy-phenolate Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1C2=C(C=CC(=C2)O)[O-])C3=C(C=CC(=C3)O)O

Isomeric SMILES

CC1=[N+](C=CN1C2=C(C=CC(=C2)O)[O-])C3=C(C=CC(=C3)O)O

InChI

InChI=1S/C16H14N2O4/c1-10-17(13-8-11(19)2-4-15(13)21)6-7-18(10)14-9-12(20)3-5-16(14)22/h2-9H,1H3,(H3-,19,20,21,22)