oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate

Systemtic Name: oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate Openeye Name: oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate CAS Name: oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate IUPAC Name: oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate Traditional Name: oxygen(2-); technetium(7+); 4-(1,4,7-triazonan-2-ylmethyl)benzoate Formula: C14H20N3O5Tc MolecularWeight: 408.232916

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NCCN1)CC2=CC=C(C=C2)C(=O)[O-].[O-2].[O-2].[O-2].[Tc+7]

Isomeric SMILES

C1CNCC(NCCN1)CC2=CC=C(C=C2)C(=O)[O-].[O-2].[O-2].[O-2].[Tc+7]

InChI

InChI=1S/C14H21N3O2.3O.Tc/c18-14(19)12-3-1-11(2-4-12)9-13-10-16-6-5-15-7-8-17-13;;;;/h1-4,13,15-17H,5-10H2,(H,18,19);;;;/q;3*-2;+7/p-1