sodium 3,6-bis(methylsulfamoyl)-8-oxidanyl-naphthalene-1-sulfonate

Systemtic Name: sodium 3,6-bis(methylsulfamoyl)-8-oxidanyl-naphthalene-1-sulfonate Openeye Name: sodium 8-hydroxy-3,6-bis(methylsulfamoyl)naphthalene-1-sulfonate CAS Name: sodium 8-hydroxy-3,6-bis(methylsulfamoyl)-1-naphthalenesulfonate IUPAC Name: sodium 8-hydroxy-3,6-bis(methylsulfamoyl)naphthalene-1-sulfonate Traditional Name: sodium 8-hydroxy-3,6-bis(methylsulfamoyl)naphthalene-1-sulfonate Formula: C12H13N2NaO8S3 MolecularWeight: 432.42499

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C2C(=C1)C=C(C=C2S(=O)(=O)[O-])S(=O)(=O)NC)O.[Na+]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C2C(=C1)C=C(C=C2S(=O)(=O)[O-])S(=O)(=O)NC)O.[Na+]

InChI

InChI=1S/C12H14N2O8S3.Na/c1-13-23(16,17)8-3-7-4-9(24(18,19)14-2)6-11(25(20,21)22)12(7)10(15)5-8;/h3-6,13-15H,1-2H3,(H,20,21,22);/q;+1/p-1