2-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-pentenoate IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoate Formula: C13H9F6O2- MolecularWeight: 311.199779

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C=CCC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H10F6O2/c1-2-3-10(11(20)21)7-4-8(12(14,15)16)6-9(5-7)13(17,18)19/h2,4-6,10H,1,3H2,(H,20,21)/p-1