sodium 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: sodium 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: sodium 5-(3-pyridylmethyl)benzofuran-2-carboxylic acid CAS Name: sodium 5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid IUPAC Name: sodium 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: sodium 5-(3-pyridylmethyl)coumarilic acid Formula: C15H11NNaO3+ MolecularWeight: 276.24251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O.[Na+]

InChI

InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1