4-tert-butyl-1-fluoranyl-pyridin-1-ium-2-sulfonic acid

Systemtic Name: 4-tert-butyl-1-fluoranyl-pyridin-1-ium-2-sulfonic acid Openeye Name: 4-tert-butyl-1-fluoro-pyridin-1-ium-2-sulfonic acid CAS Name: 4-tert-butyl-1-fluoro-2-pyridin-1-iumsulfonic acid IUPAC Name: 4-tert-butyl-1-fluoropyridin-1-ium-2-sulfonic acid Traditional Name: 4-tert-butyl-1-fluoro-pyridin-1-ium-2-sulfonic acid Formula: C9H13FNO3S+ MolecularWeight: 234.267823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[N+](C=C1)F)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=[N+](C=C1)F)S(=O)(=O)O

InChI

InChI=1S/C9H12FNO3S/c1-9(2,3)7-4-5-11(10)8(6-7)15(12,13)14/h4-6H,1-3H3/p+1