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

Systemtic Name: sodium [4-[1-(4-acetyloxyphenyl)-2-ethoxy-2-oxidanylidene-1-pyridin-2-yl-ethyl]phenyl] sulfate Openeye Name: sodium [4-[1-(4-acetoxyphenyl)-2-ethoxy-2-oxo-1-(2-pyridyl)ethyl]phenyl] sulfate CAS Name: sodium [4-[1-(4-acetyloxyphenyl)-2-ethoxy-2-oxo-1-(2-pyridinyl)ethyl]phenyl] sulfate IUPAC Name: sodium [4-[1-(4-acetyloxyphenyl)-2-ethoxy-2-oxo-1-pyridin-2-ylethyl]phenyl] sulfate Traditional Name: sodium [4-[1-(4-acetoxyphenyl)-2-ethoxy-2-keto-1-(2-pyridyl)ethyl]phenyl] sulfate Formula: C23H20NNaO8S MolecularWeight: 493.46157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO8S.Na/c1-3-30-22(26)23(21-6-4-5-15-24-21,17-7-11-19(12-8-17)31-16(2)25)18-9-13-20(14-10-18)32-33(27,28)29;/h4-15H,3H2,1-2H3,(H,27,28,29);/q;+1/p-1