sodium 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl]benzenesulfonate

Systemtic Name: sodium 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl]benzenesulfonate Openeye Name: sodium 2-(1-phenyltetrazol-5-yl)sulfanylcarbonylbenzenesulfonate CAS Name: sodium 2-[oxo-[(1-phenyl-5-tetrazolyl)thio]methyl]benzenesulfonate IUPAC Name: sodium 2-(1-phenyltetrazol-5-yl)sulfanylcarbonylbenzenesulfonate Traditional Name: sodium 2-[(1-phenyltetrazol-5-yl)thio]carbonylbesylate Formula: C14H9N4NaO4S2 MolecularWeight: 384.36543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H10N4O4S2.Na/c19-13(11-8-4-5-9-12(11)24(20,21)22)23-14-15-16-17-18(14)10-6-2-1-3-7-10;/h1-9H,(H,20,21,22);/q;+1/p-1