2-[3-butoxy-5-[4-(trifluoromethyloxy)phenyl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-butoxy-5-[4-(trifluoromethyloxy)phenyl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3-butoxy-5-[4-(trifluoromethoxy)phenyl]sulfonyl-phenyl]acetic acid CAS Name: 2-[3-butoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]acetic acid IUPAC Name: 2-[3-butoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-butoxy-5-[4-(trifluoromethoxy)phenyl]sulfonyl-phenyl]acetic acid Formula: C19H19F3O6S MolecularWeight: 432.41077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H19F3O6S/c1-2-3-8-27-15-9-13(11-18(23)24)10-17(12-15)29(25,26)16-6-4-14(5-7-16)28-19(20,21)22/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,23,24)