dimethyl 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H12F6O4 MolecularWeight: 406.275899

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H12F6O4/c1-27-15(25)11-3-9(4-12(5-11)16(26)28-2)10-6-13(17(19,20)21)8-14(7-10)18(22,23)24/h3-8H,1-2H3