2-[4-(2-methyl-4-oxidanylidene-pentan-2-yl)-1,2,3,4-tetrazol-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(2-methyl-4-oxidanylidene-pentan-2-yl)-1,2,3,4-tetrazol-4-ium-1-yl]benzoate Openeye Name: 2-[4-(1,1-dimethyl-3-oxo-butyl)tetrazol-4-ium-1-yl]benzoate CAS Name: 2-[4-(2-methyl-4-oxopentan-2-yl)-1-tetrazol-4-iumyl]benzoate IUPAC Name: 2-[4-(2-methyl-4-oxopentan-2-yl)tetrazol-4-ium-1-yl]benzoate Traditional Name: 2-[4-(3-keto-1,1-dimethyl-butyl)tetrazol-4-ium-1-yl]benzoate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(=O)CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-10(19)8-14(2,3)18-9-17(15-16-18)12-7-5-4-6-11(12)13(20)21/h4-7,9H,8H2,1-3H3