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

Systemtic Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enal Openeye Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enal CAS Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-2-butenal IUPAC Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-2-enal Traditional Name: (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-2-enal Formula: C13H10F6O MolecularWeight: 296.208319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F6O/c1-7(6-20)8(2)9-3-10(12(14,15)16)5-11(4-9)13(17,18)19/h3-6H,1-2H3/b8-7+