3-chloranyl-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonyloxy-benzoic acid Formula: C15H10ClF3O6S MolecularWeight: 410.74951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H10ClF3O6S/c1-24-11-7-8(14(20)21)6-10(16)13(11)25-26(22,23)12-5-3-2-4-9(12)15(17,18)19/h2-7H,1H3,(H,20,21)