sodium 3-[4-(methoxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 3-[4-(methoxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzenesulfonate Openeye Name: sodium 3-[4-(methoxymethyl)-5-thioxo-tetrazol-1-yl]benzenesulfonate CAS Name: sodium 3-[4-(methoxymethyl)-5-sulfanylidene-1-tetrazolyl]benzenesulfonate IUPAC Name: sodium 3-[4-(methoxymethyl)-5-sulfanylidenetetrazol-1-yl]benzenesulfonate Traditional Name: sodium 3-[4-(methoxymethyl)-5-thioxo-tetrazol-1-yl]besylate Formula: C9H9N4NaO4S2 MolecularWeight: 324.31193

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=S)N(N=N1)C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCN1C(=S)N(N=N1)C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H10N4O4S2.Na/c1-17-6-12-9(18)13(11-10-12)7-3-2-4-8(5-7)19(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1