1-[3,4-bis(oxidanyl)phenyl]-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone Formula: C12H13N2O3S+ MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H12N2O3S/c1-14-5-4-13-12(14)18-7-11(17)8-2-3-9(15)10(16)6-8/h2-6H,7H2,1H3,(H2,15,16,17)/p+1