2-chloranyl-5-[(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(2,2-dimethyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonylamino]benzoic acid Openeye Name: 2-chloro-5-[(3-hydroxy-2,2-dimethyl-3-oxo-propyl)sulfonylamino]benzoic acid CAS Name: 2-chloro-5-[(3-hydroxy-2,2-dimethyl-3-oxopropyl)sulfonylamino]benzoic acid IUPAC Name: 2-chloro-5-[(3-hydroxy-2,2-dimethyl-3-oxopropyl)sulfonylamino]benzoic acid Traditional Name: 2-chloro-5-[(3-hydroxy-3-keto-2,2-dimethyl-propyl)sulfonylamino]benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CS(=O)(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14ClNO6S/c1-12(2,11(17)18)6-21(19,20)14-7-3-4-9(13)8(5-7)10(15)16/h3-5,14H,6H2,1-2H3,(H,15,16)(H,17,18)