2,4-bis(chloranyl)-5-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfamoyl]benzoic acid Openeye Name: 5-[[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]-2,4-dichloro-benzoic acid CAS Name: 2,4-dichloro-5-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoic acid Traditional Name: 5-[[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]-2,4-dichloro-benzoic acid Formula: C12H13Cl2NO6S MolecularWeight: 370.20572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO6S/c1-5(2)10(12(18)19)15-22(20,21)9-3-6(11(16)17)7(13)4-8(9)14/h3-5,10,15H,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1