2-oxidanylpentanoyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 2-oxidanylpentanoyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 2-hydroxypentanoyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (2-hydroxy-1-oxopentyl) ester IUPAC Name: 2-hydroxypentanoyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid 2-hydroxypentanoyl ester Formula: C16H17I3N2O6 MolecularWeight: 714.02939

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)O

Isomeric SMILES

CCCC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)O

InChI

InChI=1S/C16H17I3N2O6/c1-4-5-8(24)15(25)27-16(26)9-10(17)13(20-6(2)22)12(19)14(11(9)18)21-7(3)23/h8,24H,4-5H2,1-3H3,(H,20,22)(H,21,23)