2-[1-ethyl-5-(phenylcarbonyl)-1,2,3,4-tetrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-5-(phenylcarbonyl)-1,2,3,4-tetrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-1-ethyl-tetrazol-1-ium-1-yl)acetic acid CAS Name: 2-(5-benzoyl-1-ethyl-1-tetrazol-1-iumyl)acetic acid IUPAC Name: 2-(5-benzoyl-1-ethyltetrazol-1-ium-1-yl)acetic acid Traditional Name: 2-(5-benzoyl-1-ethyl-tetrazol-1-ium-1-yl)acetic acid Formula: C12H13N4O3+ MolecularWeight: 261.25662

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=NN=N1)C(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC[N+]1(C(=NN=N1)C(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C12H12N4O3/c1-2-16(8-10(17)18)12(13-14-15-16)11(19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/p+1