phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine

Systemtic Name: phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine Openeye Name: phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine CAS Name: phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine IUPAC Name: phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine Traditional Name: phthalic acid; 1-[4-(trifluoromethyl)phenyl]ethylamine Formula: C17H16F3NO4 MolecularWeight: 355.30845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(F)(F)F)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(F)(F)F)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H10F3N.C8H6O4/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-6H,13H2,1H3;1-4H,(H,9,10)(H,11,12)