sodium 2-[2,4,6-tris(iodanyl)-3-(2-methylpropylcarbamoyl)phenoxy]hexanoate

Systemtic Name: sodium 2-[2,4,6-tris(iodanyl)-3-(2-methylpropylcarbamoyl)phenoxy]hexanoate Openeye Name: sodium 2-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]hexanoate CAS Name: sodium 2-[2,4,6-triiodo-3-[(2-methylpropylamino)-oxomethyl]phenoxy]hexanoate IUPAC Name: sodium 2-[2,4,6-triiodo-3-(2-methylpropylcarbamoyl)phenoxy]hexanoate Traditional Name: sodium 2-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]hexanoate Formula: C17H21I3NNaO4 MolecularWeight: 707.05612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I.[Na+]

Isomeric SMILES

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I.[Na+]

InChI

InChI=1S/C17H22I3NO4.Na/c1-4-5-6-12(17(23)24)25-15-11(19)7-10(18)13(14(15)20)16(22)21-8-9(2)3;/h7,9,12H,4-6,8H2,1-3H3,(H,21,22)(H,23,24);/q;+1/p-1