4-methyl-3-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[3-(tetrazol-1-yl)phenoxy]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[3-(1-tetrazolyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[3-(tetrazol-1-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 4-methyl-3-[3-(tetrazol-1-yl)phenoxy]sulfonyl-benzoic acid Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C15H12N4O5S/c1-10-5-6-11(15(20)21)7-14(10)25(22,23)24-13-4-2-3-12(8-13)19-9-16-17-18-19/h2-9H,1H3,(H,20,21)