2-methoxy-5-[2-(3-oxidanylpyridin-1-ium-2-yl)ethyl]benzenesulfonate

Systemtic Name: 2-methoxy-5-[2-(3-oxidanylpyridin-1-ium-2-yl)ethyl]benzenesulfonate Openeye Name: 5-[2-(3-hydroxypyridin-1-ium-2-yl)ethyl]-2-methoxy-benzenesulfonate CAS Name: 5-[2-(3-hydroxy-2-pyridin-1-iumyl)ethyl]-2-methoxybenzenesulfonate IUPAC Name: 5-[2-(3-hydroxypyridin-1-ium-2-yl)ethyl]-2-methoxybenzenesulfonate Traditional Name: 5-[2-(3-hydroxypyridin-1-ium-2-yl)ethyl]-2-methoxy-besylate Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C(C=CC=[NH+]2)O)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C(C=CC=[NH+]2)O)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15NO5S/c1-20-13-7-5-10(9-14(13)21(17,18)19)4-6-11-12(16)3-2-8-15-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,17,18,19)