2-[carboxymethyl-[2-[(2-heptoxyphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid; technetium-99

Systemtic Name: 2-[carboxymethyl-[2-[(2-heptoxyphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid; technetium-99 Openeye Name: 2-[carboxymethyl-[2-(2-heptoxyanilino)-2-oxo-ethyl]amino]acetic acid; technetium-99 CAS Name: 2-[carboxymethyl-[2-(2-heptoxyanilino)-2-oxoethyl]amino]acetic acid; technetium-99 IUPAC Name: 2-[carboxymethyl-[2-(2-heptoxyanilino)-2-oxoethyl]amino]acetic acid; technetium-99 Traditional Name: 2-[carboxymethyl-[2-(2-heptoxyanilino)-2-keto-ethyl]amino]acetic acid; technetium-99 Formula: C19H28N2O6Tc MolecularWeight: 479.341675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)CN(CC(=O)O)CC(=O)O.[Tc]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)CN(CC(=O)O)CC(=O)O.[99Tc]

InChI

InChI=1S/C19H28N2O6.Tc/c1-2-3-4-5-8-11-27-16-10-7-6-9-15(16)20-17(22)12-21(13-18(23)24)14-19(25)26;/h6-7,9-10H,2-5,8,11-14H2,1H3,(H,20,22)(H,23,24)(H,25,26);/i;1+1