3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylethanoic acid; phenylmethanamine

Systemtic Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylethanoic acid; phenylmethanamine Openeye Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylacetic acid; phenylmethanamine CAS Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylacetic acid; phenylmethanamine IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylacetic acid; phenylmethanamine Traditional Name: benzylamine; 3,5-bis(trifluoromethyl)benzaldehyde; 2-phenylacetic acid Formula: C24H21F6NO3 MolecularWeight: 485.418859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

InChI

InChI=1S/C9H4F6O.C8H8O2.C7H9N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15;9-8(10)6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-4H;1-5H,6H2,(H,9,10);1-5H,6,8H2