trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate

Systemtic Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate Openeye Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate CAS Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate IUPAC Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate Traditional Name: trisodium [[4,6-bis(sulfonatomethylamino)-s-triazin-2-yl]amino]methanesulfonate Formula: C6H9N6Na3O9S3 MolecularWeight: 474.33477

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Descriptors Computed from Structure

Canonical SMILES:

C(NC1=NC(=NC(=N1)NCS(=O)(=O)[O-])NCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(NC1=NC(=NC(=N1)NCS(=O)(=O)[O-])NCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H12N6O9S3.3Na/c13-22(14,15)1-7-4-10-5(8-2-23(16,17)18)12-6(11-4)9-3-24(19,20)21;;;/h1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H3,7,8,9,10,11,12);;;/q;3*+1/p-3