sodium 5-[[5-chloranyl-2-[(3-chloranylpyridin-4-yl)methoxy]phenyl]methyl]furan-2-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-[(3-chloranylpyridin-4-yl)methoxy]phenyl]methyl]furan-2-carboxylate Openeye Name: sodium 5-[[5-chloro-2-[(3-chloro-4-pyridyl)methoxy]phenyl]methyl]furan-2-carboxylate CAS Name: sodium 5-[[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]-2-furancarboxylate IUPAC Name: sodium 5-[[5-chloro-2-[(3-chloropyridin-4-yl)methoxy]phenyl]methyl]furan-2-carboxylate Traditional Name: sodium 5-[5-chloro-2-[(3-chloro-4-pyridyl)methoxy]benzyl]-2-furoate Formula: C18H12Cl2NNaO4 MolecularWeight: 400.18795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CC2=CC=C(O2)C(=O)[O-])OCC3=C(C=NC=C3)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC2=CC=C(O2)C(=O)[O-])OCC3=C(C=NC=C3)Cl.[Na+]

InChI

InChI=1S/C18H13Cl2NO4.Na/c19-13-1-3-16(24-10-11-5-6-21-9-15(11)20)12(7-13)8-14-2-4-17(25-14)18(22)23;/h1-7,9H,8,10H2,(H,22,23);/q;+1/p-1