(2E)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]butanoic acid

Systemtic Name: (2E)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]butanoic acid Openeye Name: (2E)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylene]butanoic acid CAS Name: (2E)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]butanoic acid IUPAC Name: (2E)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]butanoic acid Traditional Name: (E)-2-isopropyl-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C13H13F3O2 MolecularWeight: 258.23633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC1=CC=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)/C(=C\C1=CC=C(C=C1)C(F)(F)F)/C(=O)O

InChI

InChI=1S/C13H13F3O2/c1-8(2)11(12(17)18)7-9-3-5-10(6-4-9)13(14,15)16/h3-8H,1-2H3,(H,17,18)/b11-7+