2-[3-[2-(4-sulfophenyl)-2H-1,2,3,4-tetrazol-2-ium-5-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-(4-sulfophenyl)-2H-1,2,3,4-tetrazol-2-ium-5-yl]phenoxy]ethanoic acid Openeye Name: 2-[3-[2-(4-sulfophenyl)-2H-tetrazol-2-ium-5-yl]phenoxy]acetic acid CAS Name: 2-[3-[2-(4-sulfophenyl)-2H-tetrazol-2-ium-5-yl]phenoxy]acetic acid IUPAC Name: 2-[3-[2-(4-sulfophenyl)-2H-tetrazol-2-ium-5-yl]phenoxy]acetic acid Traditional Name: 2-[3-[2-(4-sulfophenyl)-2H-tetrazol-2-ium-5-yl]phenoxy]acetic acid Formula: C15H13N4O6S+ MolecularWeight: 377.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)C2=N[NH+](N=N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)C2=N[NH+](N=N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O6S/c20-14(21)9-25-12-3-1-2-10(8-12)15-16-18-19(17-15)11-4-6-13(7-5-11)26(22,23)24/h1-8H,9H2,(H,20,21)(H,22,23,24)/p+1