sodium 3-(butanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: sodium 3-(butanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: sodium 3-(butanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: sodium 2,4,6-triiodo-3-(1-oxobutylamino)benzoic acid IUPAC Name: sodium 3-(butanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: sodium 3-butyramido-2,4,6-triiodo-benzoic acid Formula: C11H10I3NNaO3+ MolecularWeight: 607.90518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.[Na+]

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.[Na+]

InChI

InChI=1S/C11H10I3NO3.Na/c1-2-3-7(16)15-10-6(13)4-5(12)8(9(10)14)11(17)18;/h4H,2-3H2,1H3,(H,15,16)(H,17,18);/q;+1