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

Systemtic Name: 4-chloranyl-3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(1-carboxy-2-methyl-propyl)sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(1-carboxy-2-methyl-propyl)sulfamoyl]-4-chloro-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO6S/c1-6(2)10(12(17)18)14-21(19,20)9-5-7(11(15)16)3-4-8(9)13/h3-6,10,14H,1-2H3,(H,15,16)(H,17,18)