4-(5-methylsulfonyl-1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: 4-(5-methylsulfonyl-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 4-(5-methylsulfonyltetrazol-1-yl)benzoic acid CAS Name: 4-(5-methylsulfonyl-1-tetrazolyl)benzoic acid IUPAC Name: 4-(5-methylsulfonyltetrazol-1-yl)benzoic acid Traditional Name: 4-(5-mesyltetrazol-1-yl)benzoic acid Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=NN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NN=NN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C9H8N4O4S/c1-18(16,17)9-10-11-12-13(9)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)