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

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-(2-oxidanylpropanoyloxycarbonyl)benzoic acid Openeye Name: 3-amino-5-(2-hydroxypropanoyloxycarbonyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[(2-hydroxy-1-oxopropoxy)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-(2-hydroxypropanoyloxycarbonyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-2,4,6-triiodo-5-lactoyloxycarbonyl-benzoic acid Formula: C11H8I3NO6 MolecularWeight: 630.89773

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C11H8I3NO6/c1-2(16)10(19)21-11(20)4-5(12)3(9(17)18)6(13)8(15)7(4)14/h2,16H,15H2,1H3,(H,17,18)