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

Systemtic Name: 3-chloranyl-4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxy-benzoic acid CAS Name: 3-chloro-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxybenzoic acid Traditional Name: 3-chloro-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxy-benzoic acid Formula: C15H9Cl2F3O6S MolecularWeight: 445.19457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9Cl2F3O6S/c1-25-12-5-7(14(21)22)4-11(17)13(12)26-27(23,24)8-2-3-10(16)9(6-8)15(18,19)20/h2-6H,1H3,(H,21,22)