2-[(5S,7R)-3-(1,2,3,4-tetrazol-2-yl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-(1,2,3,4-tetrazol-2-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(tetrazol-2-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(2-tetrazolyl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(tetrazol-2-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(tetrazol-2-yl)-1-adamantyl]acetate Formula: C13H17N4O2- MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4N=CN=N4)CC(=O)[O-]

InChI

InChI=1S/C13H18N4O2/c18-11(19)6-12-2-9-1-10(3-12)5-13(4-9,7-12)17-15-8-14-16-17/h8-10H,1-7H2,(H,18,19)/p-1/t9-,10+,12?,13?