2-(2-methyl-5-sulfamoyl-phenyl)carbonylpropanedioic acid

Systemtic Name: 2-(2-methyl-5-sulfamoyl-phenyl)carbonylpropanedioic acid Openeye Name: 2-(2-methyl-5-sulfamoyl-benzoyl)propanedioic acid CAS Name: 2-[(2-methyl-5-sulfamoylphenyl)-oxomethyl]propanedioic acid IUPAC Name: 2-(2-methyl-5-sulfamoylbenzoyl)propanedioic acid Traditional Name: 2-(2-methyl-5-sulfamoyl-benzoyl)malonic acid Formula: C11H11NO7S MolecularWeight: 301.27254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H11NO7S/c1-5-2-3-6(20(12,18)19)4-7(5)9(13)8(10(14)15)11(16)17/h2-4,8H,1H3,(H,14,15)(H,16,17)(H2,12,18,19)