2-hydroxyethyl 3,5-bis[2-hydroxyethyl(2-oxidanylethanoyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 2-hydroxyethyl 3,5-bis[2-hydroxyethyl(2-oxidanylethanoyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 2-hydroxyethyl 3,5-bis[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3,5-bis[2-hydroxyethyl-(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3,5-bis[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3,5-bis[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodo-benzoic acid 2-hydroxyethyl ester Formula: C17H21I3N2O9 MolecularWeight: 778.07005

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)OCCO)I)N(CCO)C(=O)CO)I)C(=O)CO

Isomeric SMILES

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)OCCO)I)N(CCO)C(=O)CO)I)C(=O)CO

InChI

InChI=1S/C17H21I3N2O9/c18-12-11(17(30)31-6-5-25)13(19)16(22(2-4-24)10(29)8-27)14(20)15(12)21(1-3-23)9(28)7-26/h23-27H,1-8H2