3-(2-azanylethanoyl)-2,4,6-tris(iodanyl)-5-[2,4,6-tris(iodanyl)-3-methyl-phenyl]carbonyl-benzoic acid

Systemtic Name: 3-(2-azanylethanoyl)-2,4,6-tris(iodanyl)-5-[2,4,6-tris(iodanyl)-3-methyl-phenyl]carbonyl-benzoic acid Openeye Name: 3-(2-aminoacetyl)-2,4,6-triiodo-5-(2,4,6-triiodo-3-methyl-benzoyl)benzoic acid CAS Name: 3-(2-amino-1-oxoethyl)-2,4,6-triiodo-5-[oxo-(2,4,6-triiodo-3-methylphenyl)methyl]benzoic acid IUPAC Name: 3-(2-aminoacetyl)-2,4,6-triiodo-5-(2,4,6-triiodo-3-methylbenzoyl)benzoic acid Traditional Name: 3-glycyl-2,4,6-triiodo-5-(2,4,6-triiodo-3-methyl-benzoyl)benzoic acid Formula: C17H9I6NO4 MolecularWeight: 1052.68448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1I)C(=O)C2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)CN)I)I)I

Isomeric SMILES

CC1=C(C=C(C(=C1I)C(=O)C2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)CN)I)I)I

InChI

InChI=1S/C17H9I6NO4/c1-4-5(18)2-6(19)8(12(4)20)16(26)10-13(21)9(7(25)3-24)14(22)11(15(10)23)17(27)28/h2H,3,24H2,1H3,(H,27,28)