5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid

Systemtic Name: 5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid Openeye Name: 5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid CAS Name: 5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid IUPAC Name: 5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid Traditional Name: 5-[3-(3-sulfo-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole-3-sulfonic acid Formula: C7H10N6O6S2 MolecularWeight: 338.3209

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Descriptors Computed from Structure

Canonical SMILES:

C(CC1=NC(=NN1)S(=O)(=O)O)CC2=NC(=NN2)S(=O)(=O)O

Isomeric SMILES

C(CC1=NC(=NN1)S(=O)(=O)O)CC2=NC(=NN2)S(=O)(=O)O

InChI

InChI=1S/C7H10N6O6S2/c14-20(15,16)6-8-4(10-12-6)2-1-3-5-9-7(13-11-5)21(17,18)19/h1-3H2,(H,8,10,12)(H,9,11,13)(H,14,15,16)(H,17,18,19)