[4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] ethanoate

Systemtic Name: [4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] ethanoate Openeye Name: [4-[2-pyridyl-(4-sulfooxyphenyl)methyl]phenyl] acetate CAS Name: acetic acid [4-[2-pyridinyl-(4-sulfooxyphenyl)methyl]phenyl] ester IUPAC Name: [4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[2-pyridyl-(4-sulfoxyphenyl)methyl]phenyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=CC=N3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C20H17NO6S/c1-14(22)26-17-9-5-15(6-10-17)20(19-4-2-3-13-21-19)16-7-11-18(12-8-16)27-28(23,24)25/h2-13,20H,1H3,(H,23,24,25)