ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonylhexanoate

Systemtic Name: ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonylhexanoate Openeye Name: ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfonylhexanoate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfonylhexanoate Traditional Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfonylhexanoic acid ethyl ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)S(=O)(=O)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCCCC(C(=O)OCC)S(=O)(=O)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H19NO5S/c1-3-5-8-11(13(15)19-4-2)20(17,18)12-9-6-7-10-14(12)16/h6-7,9-11H,3-5,8H2,1-2H3