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

Systemtic Name: (5R,7S)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxylate Openeye Name: (5R,7S)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxylate CAS Name: (5R,7S)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxylate Traditional Name: (5R,7S)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxylate Formula: C13H16N3O2- MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)C(=O)[O-]

InChI

InChI=1S/C13H17N3O2/c17-11(18)12-2-9-1-10(3-12)5-13(4-9,6-12)16-8-14-7-15-16/h7-10H,1-6H2,(H,17,18)/p-1/t9-,10+,12?,13?