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

Systemtic Name: sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid CAS Name: sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid IUPAC Name: sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid Traditional Name: sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2NaO4+ MolecularWeight: 650.92992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.[Na+]

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.[Na+]

InChI

InChI=1S/C12H11I3N2O4.Na/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);/q;+1