(E)-2-[6-(trifluoromethyl)pyridin-3-yl]ethenesulfonic acid

Systemtic Name: (E)-2-[6-(trifluoromethyl)pyridin-3-yl]ethenesulfonic acid Openeye Name: (E)-2-[6-(trifluoromethyl)-3-pyridyl]ethenesulfonic acid CAS Name: (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonic acid IUPAC Name: (E)-2-[6-(trifluoromethyl)pyridin-3-yl]ethenesulfonic acid Traditional Name: (E)-2-[6-(trifluoromethyl)-3-pyridyl]ethenesulfonic acid Formula: C8H6F3NO3S MolecularWeight: 253.19835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C=CS(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=NC=C1/C=C/S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C8H6F3NO3S/c9-8(10,11)7-2-1-6(5-12-7)3-4-16(13,14)15/h1-5H,(H,13,14,15)/b4-3+