2-methylpropyl 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butanoate

Systemtic Name: 2-methylpropyl 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butanoate Openeye Name: isobutyl 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butanoate CAS Name: 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butanoate Traditional Name: 2-[4-[2-ethyl-4-(trifluoromethyl)phenyl]sulfonylphenoxy]butyric acid isobutyl ester Formula: C23H27F3O5S MolecularWeight: 472.51769

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)OC(CC)C(=O)OCC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)OC(CC)C(=O)OCC(C)C

InChI

InChI=1S/C23H27F3O5S/c1-5-16-13-17(23(24,25)26)7-12-21(16)32(28,29)19-10-8-18(9-11-19)31-20(6-2)22(27)30-14-15(3)4/h7-13,15,20H,5-6,14H2,1-4H3