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

Systemtic Name: 4-methyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)pyridin-1-ium-3-sulfonate Openeye Name: 1-(6-hydroxy-6-oxo-hexyl)-4-methyl-pyridin-1-ium-3-sulfonate CAS Name: 1-(6-hydroxy-6-oxohexyl)-4-methyl-3-pyridin-1-iumsulfonate IUPAC Name: 1-(6-hydroxy-6-oxohexyl)-4-methylpyridin-1-ium-3-sulfonate Traditional Name: 1-(6-hydroxy-6-keto-hexyl)-4-methyl-pyridin-1-ium-3-sulfonate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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