sodium; dihydrogen phosphate; 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzenesulfonic acid

Systemtic Name: sodium; dihydrogen phosphate; 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzenesulfonic acid Openeye Name: sodium; dihydrogen phosphate; 3-(5-thioxo-2H-tetrazol-1-yl)benzenesulfonic acid CAS Name: sodium; dihydrogen phosphate; 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonic acid IUPAC Name: sodium; dihydrogen phosphate; 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzenesulfonic acid Traditional Name: sodium; dihydrogen phosphate; 3-(5-thioxo-2H-tetrazol-1-yl)besylic acid Formula: C7H8N4NaO7PS2 MolecularWeight: 378.254551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=S)N=NN2.OP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=S)N=NN2.OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C7H6N4O3S2.Na.H3O4P/c12-16(13,14)6-3-1-2-5(4-6)11-7(15)8-9-10-11;;1-5(2,3)4/h1-4H,(H,8,10,15)(H,12,13,14);;(H3,1,2,3,4)/q;+1;/p-1