sodium 4-oxidanylidene-4-[[2,4,6-tris(iodanyl)-3-oxidanyl-phenyl]amino]butanoate

Systemtic Name: sodium 4-oxidanylidene-4-[[2,4,6-tris(iodanyl)-3-oxidanyl-phenyl]amino]butanoate Openeye Name: sodium 4-(3-hydroxy-2,4,6-triiodo-anilino)-4-oxo-butanoate CAS Name: sodium 4-(3-hydroxy-2,4,6-triiodoanilino)-4-oxobutanoate IUPAC Name: sodium 4-(3-hydroxy-2,4,6-triiodoanilino)-4-oxobutanoate Traditional Name: sodium 4-(3-hydroxy-2,4,6-triiodo-anilino)-4-keto-butyrate Formula: C10H7I3NNaO4 MolecularWeight: 608.87006

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1I)O)I)NC(=O)CCC(=O)[O-])I.[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1I)O)I)NC(=O)CCC(=O)[O-])I.[Na+]

InChI

InChI=1S/C10H8I3NO4.Na/c11-4-3-5(12)10(18)8(13)9(4)14-6(15)1-2-7(16)17;/h3,18H,1-2H2,(H,14,15)(H,16,17);/q;+1/p-1