sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxidanylidene-1-pyridin-2-yl-ethyl]phenyl] sulfate

Systemtic Name: sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxidanylidene-1-pyridin-2-yl-ethyl]phenyl] sulfate Openeye Name: sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxo-1-(2-pyridyl)ethyl]phenyl] sulfate CAS Name: sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxo-1-(2-pyridinyl)ethyl]phenyl] sulfate IUPAC Name: sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxo-1-pyridin-2-ylethyl]phenyl] sulfate Traditional Name: sodium [4-[2-ethoxy-1-(4-hydroxyphenyl)-2-keto-1-(2-pyridyl)ethyl]phenyl] sulfate Formula: C21H18NNaO7S MolecularWeight: 451.42489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=CC=N3.[Na+]

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=CC=N3.[Na+]

InChI

InChI=1S/C21H19NO7S.Na/c1-2-28-20(24)21(19-5-3-4-14-22-19,15-6-10-17(23)11-7-15)16-8-12-18(13-9-16)29-30(25,26)27;/h3-14,23H,2H2,1H3,(H,25,26,27);/q;+1/p-1