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

Systemtic Name: sodium 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Openeye Name: sodium 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate CAS Name: sodium 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate IUPAC Name: sodium 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Traditional Name: sodium 5-(1-adamantyl)-1H-1,2,4-triazol-3-olate Formula: C12H16N3NaO MolecularWeight: 241.26471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O.Na/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);/q;+1/p-1