5-(1-adamantyl)-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Openeye Name: 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate CAS Name: 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate IUPAC Name: 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Traditional Name: 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Formula: C12H16N3O- MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=NN4)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=NN4)[O-]

InChI

InChI=1S/C12H17N3O/c16-11-13-10(14-15-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H2,13,14,15,16)/p-1