3-(4-bromanyl-2-chloranyl-phenoxy)-4-(methylsulfonylamino)benzenesulfonic acid

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)-4-(methylsulfonylamino)benzenesulfonic acid Openeye Name: 3-(4-bromo-2-chloro-phenoxy)-4-(methanesulfonamido)benzenesulfonic acid CAS Name: 3-(4-bromo-2-chlorophenoxy)-4-(methanesulfonamido)benzenesulfonic acid IUPAC Name: 3-(4-bromo-2-chlorophenoxy)-4-(methanesulfonamido)benzenesulfonic acid Traditional Name: 3-(4-bromo-2-chloro-phenoxy)-4-(methanesulfonamido)besylic acid Formula: C13H11BrClNO6S2 MolecularWeight: 456.71654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)O)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)O)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H11BrClNO6S2/c1-23(17,18)16-11-4-3-9(24(19,20)21)7-13(11)22-12-5-2-8(14)6-10(12)15/h2-7,16H,1H3,(H,19,20,21)