3-chloranyl-5-methoxy-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(2,3,4-trifluorophenyl)sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(2,3,4-trifluorophenyl)sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(2,3,4-trifluorophenyl)sulfonyloxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-(2,3,4-trifluorophenyl)sulfonyloxy-benzoic acid Formula: C14H8ClF3O6S MolecularWeight: 396.72293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C14H8ClF3O6S/c1-23-9-5-6(14(19)20)4-7(15)13(9)24-25(21,22)10-3-2-8(16)11(17)12(10)18/h2-5H,1H3,(H,19,20)