2,4-bis[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate Openeye Name: 2,4-bis[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate CAS Name: 2,4-bis[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate Traditional Name: 2,4-bis[2-(trifluoromethyl)phenyl]isophthalate Formula: C22H10F6O4-2 MolecularWeight: 452.302819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=C(C=C2)C(=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H12F6O4/c23-21(24,25)15-7-3-1-5-11(15)12-9-10-14(19(29)30)17(18(12)20(31)32)13-6-2-4-8-16(13)22(26,27)28/h1-10H,(H,29,30)(H,31,32)/p-2