1-(1-adamantyl)-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(1-adamantyl)-5-oxo-2H-triazole-4-carboxylic acid CAS Name: 1-(1-adamantyl)-5-oxo-2H-triazole-4-carboxylic acid IUPAC Name: 1-(1-adamantyl)-5-oxo-2H-triazole-4-carboxylic acid Traditional Name: 1-(1-adamantyl)-5-keto-2H-triazole-4-carboxylic acid Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=NN4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=NN4)C(=O)O

InChI

InChI=1S/C13H17N3O3/c17-11-10(12(18)19)14-15-16(11)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9,15H,1-6H2,(H,18,19)