2-[[4-chloranyl-3-(methylsulfonylamino)phenyl]sulfonylamino]benzene-1,4-disulfonic acid

Systemtic Name: 2-[[4-chloranyl-3-(methylsulfonylamino)phenyl]sulfonylamino]benzene-1,4-disulfonic acid Openeye Name: 2-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,4-disulfonic acid CAS Name: 2-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,4-disulfonic acid IUPAC Name: 2-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,4-disulfonic acid Traditional Name: 2-[[4-chloro-3-(methanesulfonamido)phenyl]sulfonylamino]benzene-1,4-disulfonic acid Formula: C13H13ClN2O10S4 MolecularWeight: 520.96272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O10S4/c1-27(17,18)15-11-6-8(2-4-10(11)14)28(19,20)16-12-7-9(29(21,22)23)3-5-13(12)30(24,25)26/h2-7,15-16H,1H3,(H,21,22,23)(H,24,25,26)