(E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enoic acid

Systemtic Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enoic acid Openeye Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enoic acid CAS Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-2-butenoic acid IUPAC Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-2-enoic acid Traditional Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enoic acid Formula: C13H10F6O2 MolecularWeight: 312.207719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F6O2/c1-6(7(2)11(20)21)8-3-9(12(14,15)16)5-10(4-8)13(17,18)19/h3-5H,1-2H3,(H,20,21)/b7-6+