4-methoxy-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid

Systemtic Name: 4-methoxy-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 4-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 4-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 4-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C10H9F3O5S MolecularWeight: 298.23567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C10H9F3O5S/c1-18-7-3-2-6(9(14)15)4-8(7)19(16,17)5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)