(4-ethanoyl-2-methoxy-phenyl) 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: (4-acetyl-2-methoxy-phenyl) 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C13H13ClN2O5S MolecularWeight: 344.77072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(N(C=N2)C)Cl)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(N(C=N2)C)Cl)OC

InChI

InChI=1S/C13H13ClN2O5S/c1-8(17)9-4-5-10(11(6-9)20-3)21-22(18,19)13-12(14)16(2)7-15-13/h4-7H,1-3H3