disodium [[4-(sulfonatomethylsulfamoyl)phenyl]amino]methanesulfonate

Systemtic Name: disodium [[4-(sulfonatomethylsulfamoyl)phenyl]amino]methanesulfonate Openeye Name: disodium [4-(sulfonatomethylsulfamoyl)anilino]methanesulfonate CAS Name: disodium [4-(sulfonatomethylsulfamoyl)anilino]methanesulfonate IUPAC Name: disodium [4-(sulfonatomethylsulfamoyl)anilino]methanesulfonate Traditional Name: disodium [4-(sulfonatomethylsulfamoyl)anilino]methanesulfonate Formula: C8H10N2Na2O8S3 MolecularWeight: 404.34814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H12N2O8S3.2Na/c11-19(12,13)5-9-7-1-3-8(4-2-7)21(17,18)10-6-20(14,15)16;;/h1-4,9-10H,5-6H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2