sodium 4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenolate

Systemtic Name: sodium 4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenolate Openeye Name: sodium 4-[2-pyridyl-(4-sulfooxyphenyl)methyl]phenolate CAS Name: sodium 4-[2-pyridinyl-(4-sulfooxyphenyl)methyl]phenolate IUPAC Name: sodium 4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenolate Traditional Name: sodium 4-[2-pyridyl-(4-sulfoxyphenyl)methyl]phenolate Formula: C18H14NNaO5S MolecularWeight: 379.36223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)OS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H15NO5S.Na/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)24-25(21,22)23;/h1-12,18,20H,(H,21,22,23);/q;+1/p-1