3-chloranylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 3-chlorosulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 3-chlorosulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 3-chlorosulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 3-chlorosulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid Formula: C9H6ClF3O5S MolecularWeight: 318.65415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)OCC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)OCC(F)(F)F

InChI

InChI=1S/C9H6ClF3O5S/c10-19(16,17)7-3-5(8(14)15)1-2-6(7)18-4-9(11,12)13/h1-3H,4H2,(H,14,15)