sodium 3-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]pentanoate

Systemtic Name: sodium 3-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]pentanoate Openeye Name: sodium 3-[3-(butanoylamino)-2,4,6-triiodo-phenyl]pentanoate CAS Name: sodium 3-[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]pentanoate IUPAC Name: sodium 3-[3-(butanoylamino)-2,4,6-triiodophenyl]pentanoate Traditional Name: sodium 3-(3-butyramido-2,4,6-triiodo-phenyl)valerate Formula: C15H17I3NNaO3 MolecularWeight: 663.00356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO3.Na/c1-3-5-11(20)19-15-10(17)7-9(16)13(14(15)18)8(4-2)6-12(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1