sodium [3-[3-[2-(3-chloranylphenoxy)pyridin-3-yl]oxypropyl]pyridin-4-yl] sulfate

Systemtic Name: sodium [3-[3-[2-(3-chloranylphenoxy)pyridin-3-yl]oxypropyl]pyridin-4-yl] sulfate Openeye Name: sodium [3-[3-[[2-(3-chlorophenoxy)-3-pyridyl]oxy]propyl]-4-pyridyl] sulfate CAS Name: sodium [3-[3-[[2-(3-chlorophenoxy)-3-pyridinyl]oxy]propyl]-4-pyridinyl] sulfate IUPAC Name: sodium [3-[3-[2-(3-chlorophenoxy)pyridin-3-yl]oxypropyl]pyridin-4-yl] sulfate Traditional Name: sodium [3-[3-[[2-(3-chlorophenoxy)-3-pyridyl]oxy]propyl]-4-pyridyl] sulfate Formula: C19H16ClN2NaO6S MolecularWeight: 458.84791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC2=C(C=CC=N2)OCCCC3=C(C=CN=C3)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC2=C(C=CC=N2)OCCCC3=C(C=CN=C3)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H17ClN2O6S.Na/c20-15-5-1-6-16(12-15)27-19-18(7-2-9-22-19)26-11-3-4-14-13-21-10-8-17(14)28-29(23,24)25;/h1-2,5-10,12-13H,3-4,11H2,(H,23,24,25);/q;+1/p-1