2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl]benzenesulfonic acid

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylcarbonyl]benzenesulfonic acid Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylcarbonylbenzenesulfonic acid CAS Name: 2-[oxo-[(1-phenyl-5-tetrazolyl)thio]methyl]benzenesulfonic acid IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylcarbonylbenzenesulfonic acid Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]carbonylbesylic acid Formula: C14H10N4O4S2 MolecularWeight: 362.3836

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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

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C14H10N4O4S2/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)