sodium 2-oxidanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propane-1-sulfonate

Systemtic Name: sodium 2-oxidanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanyl-propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylpropane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-[(1-phenyltetrazol-5-yl)thio]propane-1-sulfonate Formula: C10H11N4NaO4S2 MolecularWeight: 338.33851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C10H12N4O4S2.Na/c15-9(7-20(16,17)18)6-19-10-11-12-13-14(10)8-4-2-1-3-5-8;/h1-5,9,15H,6-7H2,(H,16,17,18);/q;+1/p-1