sodium 2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanoate

Systemtic Name: sodium 2-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]butanoate Openeye Name: sodium 2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]butanoate CAS Name: sodium 2-[2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)phenyl]butanoate IUPAC Name: sodium 2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]butanoate Traditional Name: sodium 2-[2,4,6-triiodo-3-(2-ketopyrrolidino)phenyl]butyrate Formula: C14H13I3NNaO3 MolecularWeight: 646.9611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1I)I)N2CCCC2=O)I)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(C1=C(C(=C(C=C1I)I)N2CCCC2=O)I)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H14I3NO3.Na/c1-2-7(14(20)21)11-8(15)6-9(16)13(12(11)17)18-5-3-4-10(18)19;/h6-7H,2-5H2,1H3,(H,20,21);/q;+1/p-1