ethyl 2-(4-acetyloxyphenyl)-2-pyridin-2-yl-2-(4-sulfooxyphenyl)ethanoate

Systemtic Name: ethyl 2-(4-acetyloxyphenyl)-2-pyridin-2-yl-2-(4-sulfooxyphenyl)ethanoate Openeye Name: ethyl 2-(4-acetoxyphenyl)-2-(2-pyridyl)-2-(4-sulfooxyphenyl)acetate CAS Name: 2-(4-acetyloxyphenyl)-2-(2-pyridinyl)-2-(4-sulfooxyphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-acetyloxyphenyl)-2-pyridin-2-yl-2-(4-sulfooxyphenyl)acetate Traditional Name: 2-(4-acetoxyphenyl)-2-(2-pyridyl)-2-(4-sulfoxyphenyl)acetic acid ethyl ester Formula: C23H21NO8S MolecularWeight: 471.47974

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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

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

InChI

InChI=1S/C23H21NO8S/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)