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

Systemtic Name: ethyl 2-(4-hydroxyphenyl)-2-pyridin-2-yl-2-(4-sulfooxyphenyl)ethanoate Openeye Name: ethyl 2-(4-hydroxyphenyl)-2-(2-pyridyl)-2-(4-sulfooxyphenyl)acetate CAS Name: 2-(4-hydroxyphenyl)-2-(2-pyridinyl)-2-(4-sulfooxyphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-hydroxyphenyl)-2-pyridin-2-yl-2-(4-sulfooxyphenyl)acetate Traditional Name: 2-(4-hydroxyphenyl)-2-(2-pyridyl)-2-(4-sulfoxyphenyl)acetic acid ethyl ester Formula: C21H19NO7S MolecularWeight: 429.44306

Click to see the large picture

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

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C21H19NO7S/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)