3-[5-(carboxymethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(carboxymethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-(carboxymethylsulfanyl)tetrazol-1-yl]benzoic acid CAS Name: 3-[5-(carboxymethylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(carboxymethylsulfanyl)tetrazol-1-yl]benzoic acid Traditional Name: 3-[5-(carboxymethylthio)tetrazol-1-yl]benzoic acid Formula: C10H8N4O4S MolecularWeight: 280.25992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)O)C(=O)O

InChI

InChI=1S/C10H8N4O4S/c15-8(16)5-19-10-11-12-13-14(10)7-3-1-2-6(4-7)9(17)18/h1-4H,5H2,(H,15,16)(H,17,18)