2-(1-tert-butyl-5-cyclopentyloxycarbonyl-1,2,3,4-tetrazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(1-tert-butyl-5-cyclopentyloxycarbonyl-1,2,3,4-tetrazol-1-ium-1-yl)ethanoate Openeye Name: 2-[1-tert-butyl-5-(cyclopentoxycarbonyl)tetrazol-1-ium-1-yl]acetate CAS Name: 2-[1-tert-butyl-5-[cyclopentyloxy(oxo)methyl]-1-tetrazol-1-iumyl]acetate IUPAC Name: 2-(1-tert-butyl-5-cyclopentyloxycarbonyltetrazol-1-ium-1-yl)acetate Traditional Name: 2-[1-tert-butyl-5-(cyclopentoxycarbonyl)tetrazol-1-ium-1-yl]acetate Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C(=NN=N1)C(=O)OC2CCCC2)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)[N+]1(C(=NN=N1)C(=O)OC2CCCC2)CC(=O)[O-]

InChI

InChI=1S/C13H20N4O4/c1-13(2,3)17(8-10(18)19)11(14-15-16-17)12(20)21-9-6-4-5-7-9/h9H,4-8H2,1-3H3