trisodium 3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)-5-sulfonato-benzoate

Systemtic Name: trisodium 3-(5-sulfanidyl-1,2,3,4-tetrazol-1-yl)-5-sulfonato-benzoate Openeye Name: trisodium 3-(5-sulfidotetrazol-1-yl)-5-sulfonato-benzoate CAS Name: trisodium 3-(5-sulfido-1-tetrazolyl)-5-sulfonatobenzoate IUPAC Name: trisodium 3-(5-sulfidotetrazol-1-yl)-5-sulfonatobenzoate Traditional Name: trisodium 3-(5-sulfidotetrazol-1-yl)-5-sulfonato-benzoate Formula: C8H3N4Na3O5S2 MolecularWeight: 368.23253

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N2C(=NN=N2)[S-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1N2C(=NN=N2)[S-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H6N4O5S2.3Na/c13-7(14)4-1-5(12-8(18)9-10-11-12)3-6(2-4)19(15,16)17;;;/h1-3H,(H,13,14)(H,9,11,18)(H,15,16,17);;;/q;3*+1/p-3