sodium 2-[5-(diphenylmethyl)oxy-2-methanoyl-4-oxidanylidene-pyridin-1-yl]ethanoate

Systemtic Name: sodium 2-[5-(diphenylmethyl)oxy-2-methanoyl-4-oxidanylidene-pyridin-1-yl]ethanoate Openeye Name: sodium 2-(5-benzhydryloxy-2-formyl-4-oxo-1-pyridyl)acetate CAS Name: sodium 2-[5-(diphenylmethyl)oxy-2-formyl-4-oxo-1-pyridinyl]acetate IUPAC Name: sodium 2-(5-benzhydryloxy-2-formyl-4-oxopyridin-1-yl)acetate Traditional Name: sodium 2-(5-benzhydryloxy-2-formyl-4-keto-1-pyridyl)acetate Formula: C21H16NNaO5 MolecularWeight: 385.34521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)C=O)CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CN(C(=CC3=O)C=O)CC(=O)[O-].[Na+]

InChI

InChI=1S/C21H17NO5.Na/c23-14-17-11-18(24)19(12-22(17)13-20(25)26)27-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-12,14,21H,13H2,(H,25,26);/q;+1/p-1