2-chloranyl-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]benzoic acid Openeye Name: 5-[(1-carboxy-2-methyl-butyl)sulfamoyl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[(1-hydroxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid Traditional Name: 5-[(1-carboxy-2-methyl-butyl)sulfamoyl]-2-chloro-benzoic acid Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO6S/c1-3-7(2)11(13(18)19)15-22(20,21)8-4-5-10(14)9(6-8)12(16)17/h4-7,11,15H,3H2,1-2H3,(H,16,17)(H,18,19)