3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylic acid

Systemtic Name: 3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(tetrazol-2-yl)adamantane-1-carboxylic acid CAS Name: 3-(2-tetrazolyl)-1-adamantanecarboxylic acid IUPAC Name: 3-(tetrazol-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(tetrazol-2-yl)adamantane-1-carboxylic acid Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4N=CN=N4)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4N=CN=N4)C(=O)O

InChI

InChI=1S/C12H16N4O2/c17-10(18)11-2-8-1-9(3-11)5-12(4-8,6-11)16-14-7-13-15-16/h7-9H,1-6H2,(H,17,18)