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

Systemtic Name: 3-chloranyl-4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxy-benzoic acid CAS Name: 3-chloro-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-5-methoxybenzoic acid Traditional Name: 3-chloro-4-[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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