sodium 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate

Systemtic Name: sodium 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate Openeye Name: sodium 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoate CAS Name: sodium 3-(N-[(3-amino-2,4,6-triiodophenyl)-oxomethyl]anilino)propanoate IUPAC Name: sodium 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate Traditional Name: sodium 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propionate Formula: C16H12I3N2NaO3 MolecularWeight: 683.98126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Na+]

InChI

InChI=1S/C16H13I3N2O3.Na/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9;/h1-5,8H,6-7,20H2,(H,22,23);/q;+1/p-1