[4-[phenyl-(4-sulfooxypyridin-2-yl)methyl]phenyl] ethanoate

Systemtic Name: [4-[phenyl-(4-sulfooxypyridin-2-yl)methyl]phenyl] ethanoate Openeye Name: [4-[phenyl-(4-sulfooxy-2-pyridyl)methyl]phenyl] acetate CAS Name: acetic acid [4-[phenyl-(4-sulfooxy-2-pyridinyl)methyl]phenyl] ester IUPAC Name: [4-[phenyl-(4-sulfooxypyridin-2-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[phenyl-(4-sulfoxy-2-pyridyl)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=CC=C2)C3=NC=CC(=C3)OS(=O)(=O)O

Isomeric SMILES

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

InChI

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