2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylsulfonyl]octanoic acid

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylsulfonyl]octanoic acid Openeye Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethylsulfonyl]octanoic acid CAS Name: 2-[2-(1-oxido-2-pyridin-1-iumyl)ethylsulfonyl]octanoic acid IUPAC Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethylsulfonyl]octanoic acid Traditional Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethylsulfonyl]caprylic acid Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)CCC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C15H23NO5S/c1-2-3-4-5-9-14(15(17)18)22(20,21)12-10-13-8-6-7-11-16(13)19/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,17,18)