sodium 4-[4-[3,5-bis(chloranyl)pyridin-2-yl]-2-oxidanyl-phenoxy]pentanoate

Systemtic Name: sodium 4-[4-[3,5-bis(chloranyl)pyridin-2-yl]-2-oxidanyl-phenoxy]pentanoate Openeye Name: sodium 4-[4-(3,5-dichloro-2-pyridyl)-2-hydroxy-phenoxy]pentanoate CAS Name: sodium 4-[4-(3,5-dichloro-2-pyridinyl)-2-hydroxyphenoxy]pentanoate IUPAC Name: sodium 4-[4-(3,5-dichloropyridin-2-yl)-2-hydroxyphenoxy]pentanoate Traditional Name: sodium 4-[4-(3,5-dichloro-2-pyridyl)-2-hydroxy-phenoxy]valerate Formula: C16H14Cl2NNaO4 MolecularWeight: 378.18243

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])OC1=C(C=C(C=C1)C2=C(C=C(C=N2)Cl)Cl)O.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])OC1=C(C=C(C=C1)C2=C(C=C(C=N2)Cl)Cl)O.[Na+]

InChI

InChI=1S/C16H15Cl2NO4.Na/c1-9(2-5-15(21)22)23-14-4-3-10(6-13(14)20)16-12(18)7-11(17)8-19-16;/h3-4,6-9,20H,2,5H2,1H3,(H,21,22);/q;+1/p-1