2,5-bis(chloranyl)-3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2,5-dichloro-3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2,5-dichloro-3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2,5-dichloro-3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C12H13Cl2NO5S MolecularWeight: 354.20632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CC(C(=O)N(C)C)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C12H13Cl2NO5S/c1-6(11(16)15(2)3)21(19,20)9-5-7(13)4-8(10(9)14)12(17)18/h4-6H,1-3H3,(H,17,18)