2-[5-methyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-1,2,3,4-tetrazol-1-ium-1-yl]benzoic acid

Systemtic Name: 2-[5-methyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-1,2,3,4-tetrazol-1-ium-1-yl]benzoic acid Openeye Name: 2-[1-(4-hydroxy-4-oxo-butyl)-5-methyl-tetrazol-1-ium-1-yl]benzoic acid CAS Name: 2-[1-(4-hydroxy-4-oxobutyl)-5-methyl-1-tetrazol-1-iumyl]benzoic acid IUPAC Name: 2-[1-(4-hydroxy-4-oxobutyl)-5-methyltetrazol-1-ium-1-yl]benzoic acid Traditional Name: 2-[1-(4-hydroxy-4-keto-butyl)-5-methyl-tetrazol-1-ium-1-yl]benzoic acid Formula: C13H15N4O4+ MolecularWeight: 291.2826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=N[N+]1(CCCC(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NN=N[N+]1(CCCC(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H14N4O4/c1-9-14-15-16-17(9,8-4-7-12(18)19)11-6-3-2-5-10(11)13(20)21/h2-3,5-6H,4,7-8H2,1H3,(H-,18,19,20,21)/p+1