tripotassium 2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonate

Systemtic Name: tripotassium 2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonate Openeye Name: tripotassium 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonate CAS Name: tripotassium 2-[oxo-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]benzenesulfonate IUPAC Name: tripotassium 2-[[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonate Traditional Name: tripotassium 2-[[3-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]besylate Formula: C28H20K3N10O8S4+ MolecularWeight: 870.0755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)N3C(=S)N=NN3)S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/2C14H11N5O4S2.3K/c2*20-13(11-6-1-2-7-12(11)25(21,22)23)15-9-4-3-5-10(8-9)19-14(24)16-17-18-19;;;/h2*1-8H,(H,15,20)(H,16,18,24)(H,21,22,23);;;/q;;3*+1/p-2