3-(2-acetyloxypropanoyloxycarbonyl)-5-azanyl-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-acetyloxypropanoyloxycarbonyl)-5-azanyl-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(2-acetoxypropanoyloxycarbonyl)-5-amino-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-acetyloxy-1-oxopropoxy)-oxomethyl]-5-amino-2,4,6-triiodobenzoic acid IUPAC Name: 3-(2-acetyloxypropanoyloxycarbonyl)-5-amino-2,4,6-triiodobenzoic acid Traditional Name: 3-(2-acetoxypropanoyloxycarbonyl)-5-amino-2,4,6-triiodo-benzoic acid Formula: C13H10I3NO7 MolecularWeight: 672.93441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)N)I)OC(=O)C

Isomeric SMILES

CC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)N)I)OC(=O)C

InChI

InChI=1S/C13H10I3NO7/c1-3(23-4(2)18)12(21)24-13(22)6-7(14)5(11(19)20)8(15)10(17)9(6)16/h3H,17H2,1-2H3,(H,19,20)