4-oxidanyl-3-[2-(2-sulfanylethanoylamino)ethanoylamino]benzoate; oxygen(2-); technetium-99

Systemtic Name: 4-oxidanyl-3-[2-(2-sulfanylethanoylamino)ethanoylamino]benzoate; oxygen(2-); technetium-99 Openeye Name: 4-hydroxy-3-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]benzoate; oxygen(2-); technetium-99 CAS Name: 4-hydroxy-3-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]benzoate; oxygen(2-); technetium-99 IUPAC Name: 4-hydroxy-3-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]benzoate; oxygen(2-); technetium-99 Traditional Name: 4-hydroxy-3-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]benzoate; oxygen(2-); technetium-99 Formula: C11H11N2O6STc-3 MolecularWeight: 398.186095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CNC(=O)CS)O.[O-2].[Tc]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CNC(=O)CS)O.[O-2].[99Tc]

InChI

InChI=1S/C11H12N2O5S.O.Tc/c14-8-2-1-6(11(17)18)3-7(8)13-9(15)4-12-10(16)5-19;;/h1-3,14,19H,4-5H2,(H,12,16)(H,13,15)(H,17,18);;/q;-2;/p-1/i;;1+1