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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxy-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C16H9ClF6O6S MolecularWeight: 478.747479

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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(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF6O6S/c1-28-12-3-7(14(24)25)2-11(17)13(12)29-30(26,27)10-5-8(15(18,19)20)4-9(6-10)16(21,22)23/h2-6H,1H3,(H,24,25)