3-(acetamidomethyl)-2,4,6-tris(iodanyl)-5-(methylamino)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-2,4,6-tris(iodanyl)-5-(methylamino)benzoic acid Openeye Name: 3-(acetamidomethyl)-2,4,6-triiodo-5-(methylamino)benzoic acid CAS Name: 3-(acetamidomethyl)-2,4,6-triiodo-5-(methylamino)benzoic acid IUPAC Name: 3-(acetamidomethyl)-2,4,6-triiodo-5-(methylamino)benzoic acid Traditional Name: 3-(acetamidomethyl)-2,4,6-triiodo-5-(methylamino)benzoic acid Formula: C11H11I3N2O3 MolecularWeight: 599.93005

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC)I

InChI

InChI=1S/C11H11I3N2O3/c1-4(17)16-3-5-7(12)6(11(18)19)9(14)10(15-2)8(5)13/h15H,3H2,1-2H3,(H,16,17)(H,18,19)