dimethyl 2-[3,5-bis(trifluoromethyl)phenyl]propanedioate

Systemtic Name: dimethyl 2-[3,5-bis(trifluoromethyl)phenyl]propanedioate Openeye Name: dimethyl 2-[3,5-bis(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3,5-bis(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]malonic acid dimethyl ester Formula: C13H10F6O4 MolecularWeight: 344.206519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F6O4/c1-22-10(20)9(11(21)23-2)6-3-7(12(14,15)16)5-8(4-6)13(17,18)19/h3-5,9H,1-2H3