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

Systemtic Name: 4-(5-methylsulfonylsulfanyl-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 4-(5-methylsulfonylsulfanyltetrazol-1-yl)benzoic acid CAS Name: 4-[5-(methylsulfonylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 4-(5-methylsulfonylsulfanyltetrazol-1-yl)benzoic acid Traditional Name: 4-[5-(mesylthio)tetrazol-1-yl]benzoic acid Formula: C9H8N4O4S2 MolecularWeight: 300.31422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SC1=NN=NN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)SC1=NN=NN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C9H8N4O4S2/c1-19(16,17)18-9-10-11-12-13(9)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)