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sodium 4-[oxidanyl(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylate

sodium 4-[oxidanyl(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name:sodium 4-[oxidanyl(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylate
Openeye Name:sodium 4-[hydroxy(3-pyridyl)methyl]benzofuran-2-carboxylate
CAS Name:sodium 4-[hydroxy(3-pyridinyl)methyl]-2-benzofurancarboxylate
IUPAC Name:sodium 4-[hydroxy(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylate
Traditional Name:sodium 4-[hydroxy(3-pyridyl)methyl]coumarilate
Formula: C15H10NNaO4
MolecularWeight: 291.23397
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(OC2=C1)C(=O)[O-])C(C3=CN=CC=C3)O.[Na+]


Isomeric SMILES

C1=CC(=C2C=C(OC2=C1)C(=O)[O-])C(C3=CN=CC=C3)O.[Na+]


InChI

InChI=1S/C15H11NO4.Na/c17-14(9-3-2-6-16-8-9)10-4-1-5-12-11(10)7-13(20-12)15(18)19;/h1-8,14,17H,(H,18,19);/q;+1/p-1


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