2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-[2-[[1-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]ethylamino]ethanoic acid; technetium-99

Systemtic Name: 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-[2-[[1-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]ethylamino]ethanoic acid; technetium-99 Openeye Name: 2-(3,5-dichloro-2-hydroxy-phenyl)-2-[2-[[1-(3,5-dichloro-2-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]amino]ethylamino]acetic acid; technetium-99 CAS Name: 2-(3,5-dichloro-2-hydroxyphenyl)-2-[2-[[1-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]ethylamino]acetic acid; technetium-99 IUPAC Name: 2-(3,5-dichloro-2-hydroxyphenyl)-2-[2-[[1-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]ethylamino]acetic acid; technetium-99 Traditional Name: 2-(3,5-dichloro-2-hydroxy-phenyl)-2-[2-[[1-(3,5-dichloro-2-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]amino]ethylamino]acetic acid; technetium-99 Formula: C18H16Cl4N2O6Tc MolecularWeight: 597.047695

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)C(C(=O)O)NCCNC(C2=CC(=CC(=C2O)Cl)Cl)C(=O)O)Cl.[Tc]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)C(C(=O)O)NCCNC(C2=CC(=CC(=C2O)Cl)Cl)C(=O)O)Cl.[99Tc]

InChI

InChI=1S/C18H16Cl4N2O6.Tc/c19-7-3-9(15(25)11(21)5-7)13(17(27)28)23-1-2-24-14(18(29)30)10-4-8(20)6-12(22)16(10)26;/h3-6,13-14,23-26H,1-2H2,(H,27,28)(H,29,30);/i;1+1