2,3,6-tris(chloranyl)-5-(phenylsulfonylmethylamino)benzoic acid

Systemtic Name: 2,3,6-tris(chloranyl)-5-(phenylsulfonylmethylamino)benzoic acid Openeye Name: 3-(benzenesulfonylmethylamino)-2,5,6-trichloro-benzoic acid CAS Name: 3-(benzenesulfonylmethylamino)-2,5,6-trichlorobenzoic acid IUPAC Name: 3-(benzenesulfonylmethylamino)-2,5,6-trichlorobenzoic acid Traditional Name: 3-(besylmethylamino)-2,5,6-trichloro-benzoic acid Formula: C14H10Cl3NO4S MolecularWeight: 394.6575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CNC2=CC(=C(C(=C2Cl)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CNC2=CC(=C(C(=C2Cl)C(=O)O)Cl)Cl

InChI

InChI=1S/C14H10Cl3NO4S/c15-9-6-10(13(17)11(12(9)16)14(19)20)18-7-23(21,22)8-4-2-1-3-5-8/h1-6,18H,7H2,(H,19,20)