[[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid

Systemtic Name: [[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid Openeye Name: [[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid CAS Name: [[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid IUPAC Name: [[4,6-bis(sulfomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonic acid Traditional Name: [[4,6-bis(sulfomethylamino)-s-triazin-2-yl]amino]methanesulfonic acid Formula: C6H12N6O9S3 MolecularWeight: 408.38928

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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

Isomeric SMILES

C(NC1=NC(=NC(=N1)NCS(=O)(=O)O)NCS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H12N6O9S3/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)