4-chloranyl-3-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(1-carboxy-3-methyl-butyl)sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(1-carboxy-3-methyl-butyl)sulfamoyl]-4-chloro-benzoic acid Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO6S/c1-7(2)5-10(13(18)19)15-22(20,21)11-6-8(12(16)17)3-4-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)(H,18,19)