3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Openeye Name: 3-[5-(3-ethoxycarbonylbenzoyl)-2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid CAS Name: 3-[5-[(3-ethoxycarbonylphenyl)-oxomethyl]-2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid IUPAC Name: 3-[5-(3-ethoxycarbonylbenzoyl)-2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Traditional Name: 3-[5-(3-carbethoxybenzoyl)-2-triflyloxy-phenyl]propionic acid Formula: C20H17F3O8S MolecularWeight: 474.40439

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C20H17F3O8S/c1-2-30-19(27)15-5-3-4-13(11-15)18(26)14-6-8-16(12(10-14)7-9-17(24)25)31-32(28,29)20(21,22)23/h3-6,8,10-11H,2,7,9H2,1H3,(H,24,25)