6-methyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate

Systemtic Name: 6-methyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate Openeye Name: 1-(6-hydroxy-6-oxo-hexyl)-6-methyl-pyridin-1-ium-3-sulfonate CAS Name: 1-(6-hydroxy-6-oxohexyl)-6-methyl-3-pyridin-1-iumsulfonate IUPAC Name: 1-(6-hydroxy-6-oxohexyl)-6-methylpyridin-1-ium-3-sulfonate Traditional Name: 1-(6-hydroxy-6-keto-hexyl)-6-methyl-pyridin-1-ium-3-sulfonate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)S(=O)(=O)[O-])CCCCCC(=O)O

Isomeric SMILES

CC1=[N+](C=C(C=C1)S(=O)(=O)[O-])CCCCCC(=O)O

InChI

InChI=1S/C12H17NO5S/c1-10-6-7-11(19(16,17)18)9-13(10)8-4-2-3-5-12(14)15/h6-7,9H,2-5,8H2,1H3,(H-,14,15,16,17,18)