3-[2-(4-ethylsulfonyl-2-methyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(4-ethylsulfonyl-2-methyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[2-(4-ethylsulfonyl-2-methyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[2-(4-ethylsulfonyl-2-methylphenyl)-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(4-ethylsulfonyl-2-methylphenyl)-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[2-(4-esyl-2-methyl-phenyl)-4-(trifluoromethyl)phenyl]propionic acid Formula: C19H19F3O4S MolecularWeight: 400.41197

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)C

InChI

InChI=1S/C19H19F3O4S/c1-3-27(25,26)15-7-8-16(12(2)10-15)17-11-14(19(20,21)22)6-4-13(17)5-9-18(23)24/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,23,24)