sodium 2-[2,4,6-tris(iodanyl)-3-piperidin-1-ylcarbonyl-phenoxy]butanoic acid

Systemtic Name: sodium 2-[2,4,6-tris(iodanyl)-3-piperidin-1-ylcarbonyl-phenoxy]butanoic acid Openeye Name: sodium 2-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoic acid CAS Name: sodium 2-[2,4,6-triiodo-3-[oxo(1-piperidinyl)methyl]phenoxy]butanoic acid IUPAC Name: sodium 2-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butanoic acid Traditional Name: sodium 2-[2,4,6-triiodo-3-(piperidine-1-carbonyl)phenoxy]butyric acid Formula: C16H18I3NNaO4+ MolecularWeight: 692.0216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)N2CCCCC2)I)I.[Na+]

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C(=C1I)C(=O)N2CCCCC2)I)I.[Na+]

InChI

InChI=1S/C16H18I3NO4.Na/c1-2-11(16(22)23)24-14-10(18)8-9(17)12(13(14)19)15(21)20-6-4-3-5-7-20;/h8,11H,2-7H2,1H3,(H,22,23);/q;+1