ethyl 2-[2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-pyridin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 2-[2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-pyridin-1-ium-1-yl]propanoate Openeye Name: ethyl 2-[3-hydroxy-2-(p-tolylsulfonyloxy)pyridin-1-ium-1-yl]propanoate CAS Name: 2-[3-hydroxy-2-(4-methylphenyl)sulfonyloxy-1-pyridin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-hydroxy-2-(4-methylphenyl)sulfonyloxypyridin-1-ium-1-yl]propanoate Traditional Name: 2-(3-hydroxy-2-tosyloxy-pyridin-1-ium-1-yl)propionic acid ethyl ester Formula: C17H20NO6S+ MolecularWeight: 366.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[N+]1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)C(C)[N+]1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C17H19NO6S/c1-4-23-17(20)13(3)18-11-5-6-15(19)16(18)24-25(21,22)14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3/p+1