(5R,7S)-3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate

Systemtic Name: (5R,7S)-3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate Openeye Name: (5R,7S)-3-(tetrazol-2-yl)adamantane-1-carboxylate CAS Name: (5R,7S)-3-(2-tetrazolyl)-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-(tetrazol-2-yl)adamantane-1-carboxylate Traditional Name: (5R,7S)-3-(tetrazol-2-yl)adamantane-1-carboxylate Formula: C12H15N4O2- MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(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)/p-1/t8-,9+,11?,12?