sodium 5-[[5-chloranyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]furan-2-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]furan-2-carboxylate Openeye Name: sodium 5-[[5-chloro-2-(4-pyridylmethoxy)phenyl]methyl]furan-2-carboxylate CAS Name: sodium 5-[[5-chloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-furancarboxylate IUPAC Name: sodium 5-[[5-chloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]furan-2-carboxylate Traditional Name: sodium 5-[5-chloro-2-(4-pyridylmethoxy)benzyl]-2-furoate Formula: C18H13ClNNaO4 MolecularWeight: 365.74289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4.Na/c19-14-1-3-16(23-11-12-5-7-20-8-6-12)13(9-14)10-15-2-4-17(24-15)18(21)22;/h1-9H,10-11H2,(H,21,22);/q;+1/p-1