4-methyl-2-oxidanyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate

Systemtic Name: 4-methyl-2-oxidanyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Openeye Name: 2-hydroxy-4-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate CAS Name: 2-hydroxy-4-methyl-5-(4-pyridin-1-iumylsulfamoyl)benzoate IUPAC Name: 2-hydroxy-4-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Traditional Name: 2-hydroxy-4-methyl-5-(pyridin-1-ium-4-ylsulfamoyl)benzoate Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C13H12N2O5S/c1-8-6-11(16)10(13(17)18)7-12(8)21(19,20)15-9-2-4-14-5-3-9/h2-7,16H,1H3,(H,14,15)(H,17,18)