2,2-bis[3-(trifluoromethyl)phenyl]ethanal; ethanedioate

Systemtic Name: 2,2-bis[3-(trifluoromethyl)phenyl]ethanal; ethanedioate Openeye Name: 2,2-bis[3-(trifluoromethyl)phenyl]acetaldehyde; oxalate CAS Name: 2,2-bis[3-(trifluoromethyl)phenyl]acetaldehyde; oxalate IUPAC Name: 2,2-bis[3-(trifluoromethyl)phenyl]acetaldehyde; oxalate Traditional Name: 2,2-bis[3-(trifluoromethyl)phenyl]acetaldehyde; oxalate Formula: C18H10F6O5-2 MolecularWeight: 420.259419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F6O.C2H2O4/c17-15(18,19)12-5-1-3-10(7-12)14(9-23)11-4-2-6-13(8-11)16(20,21)22;3-1(4)2(5)6/h1-9,14H;(H,3,4)(H,5,6)/p-2