4-azanyl-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 4-azanyl-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 4-amino-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid CAS Name: 4-amino-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 4-amino-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 4-amino-3,5-bis[3-(trifluoromethyl)phenyl]benzoic acid Formula: C21H13F6NO2 MolecularWeight: 425.323839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2N)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC(=C2N)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H13F6NO2/c22-20(23,24)14-5-1-3-11(7-14)16-9-13(19(29)30)10-17(18(16)28)12-4-2-6-15(8-12)21(25,26)27/h1-10H,28H2,(H,29,30)