2,3,6-tris(fluoranyl)-4-methanoyl-5-sulfo-benzoic acid

Systemtic Name: 2,3,6-tris(fluoranyl)-4-methanoyl-5-sulfo-benzoic acid Openeye Name: 2,3,6-trifluoro-4-formyl-5-sulfo-benzoic acid CAS Name: 2,3,6-trifluoro-4-formyl-5-sulfobenzoic acid IUPAC Name: 2,3,6-trifluoro-4-formyl-5-sulfobenzoic acid Traditional Name: 2,3,6-trifluoro-4-formyl-5-sulfo-benzoic acid Formula: C8H3F3O6S MolecularWeight: 284.16603

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)C1=C(C(=C(C(=C1S(=O)(=O)O)F)C(=O)O)F)F

Isomeric SMILES

C(=O)C1=C(C(=C(C(=C1S(=O)(=O)O)F)C(=O)O)F)F

InChI

InChI=1S/C8H3F3O6S/c9-4-2(1-12)7(18(15,16)17)6(11)3(5(4)10)8(13)14/h1H,(H,13,14)(H,15,16,17)