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

Systemtic Name: 3-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(1-carboxy-3-methyl-butyl)sulfamoyl]benzoic acid CAS Name: 3-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 3-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(1-carboxy-3-methyl-butyl)sulfamoyl]benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8(2)6-11(13(17)18)14-21(19,20)10-5-3-4-9(7-10)12(15)16/h3-5,7-8,11,14H,6H2,1-2H3,(H,15,16)(H,17,18)