methyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxy-benzoate Openeye Name: methyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxy-benzoate CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxybenzoate Traditional Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxy-3-methoxy-benzoic acid methyl ester Formula: C16H12ClF3O6S MolecularWeight: 424.77609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3O6S/c1-24-13-7-9(15(21)25-2)3-6-12(13)26-27(22,23)14-8-10(16(18,19)20)4-5-11(14)17/h3-8H,1-2H3