sodium 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoate

Systemtic Name: sodium 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoate Openeye Name: sodium 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoate CAS Name: sodium 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate IUPAC Name: sodium 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate Traditional Name: sodium 2-(3-amino-2,4,6-triiodo-benzyl)butyrate Formula: C11H11I3NNaO2 MolecularWeight: 592.91372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H12I3NO2.Na/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14;/h4-5H,2-3,15H2,1H3,(H,16,17);/q;+1/p-1