sodium 4-[4-(5-chloranylpyridin-2-yl)-2-oxidanyl-phenoxy]pentanoate

Systemtic Name: sodium 4-[4-(5-chloranylpyridin-2-yl)-2-oxidanyl-phenoxy]pentanoate Openeye Name: sodium 4-[4-(5-chloro-2-pyridyl)-2-hydroxy-phenoxy]pentanoate CAS Name: sodium 4-[4-(5-chloro-2-pyridinyl)-2-hydroxyphenoxy]pentanoate IUPAC Name: sodium 4-[4-(5-chloropyridin-2-yl)-2-hydroxyphenoxy]pentanoate Traditional Name: sodium 4-[4-(5-chloro-2-pyridyl)-2-hydroxy-phenoxy]valerate Formula: C16H15ClNNaO4 MolecularWeight: 343.73737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO4.Na/c1-10(2-7-16(20)21)22-15-6-3-11(8-14(15)19)13-5-4-12(17)9-18-13;/h3-6,8-10,19H,2,7H2,1H3,(H,20,21);/q;+1/p-1