2-ethyl-3,6-bis(fluoranyl)benzenesulfonic acid

Systemtic Name: 2-ethyl-3,6-bis(fluoranyl)benzenesulfonic acid Openeye Name: 2-ethyl-3,6-difluoro-benzenesulfonic acid CAS Name: 2-ethyl-3,6-difluorobenzenesulfonic acid IUPAC Name: 2-ethyl-3,6-difluorobenzenesulfonic acid Traditional Name: 2-ethyl-3,6-difluoro-besylic acid Formula: C8H8F2O3S MolecularWeight: 222.209126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)O)F)F

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)O)F)F

InChI

InChI=1S/C8H8F2O3S/c1-2-5-6(9)3-4-7(10)8(5)14(11,12)13/h3-4H,2H2,1H3,(H,11,12,13)