2-[4-(2,4-dichlorophenyl)-3-fluoranyl-phenyl]propanoate; (phenylmethyl)azanium

Systemtic Name: 2-[4-(2,4-dichlorophenyl)-3-fluoranyl-phenyl]propanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2-[4-(2,4-dichlorophenyl)-3-fluoro-phenyl]propanoate CAS Name: 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propanoate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]propanoate Traditional Name: benzylammonium; 2-[4-(2,4-dichlorophenyl)-3-fluoro-phenyl]propionate Formula: C22H20Cl2FNO2 MolecularWeight: 420.304103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=C(C=C(C=C2)Cl)Cl)F)C(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=C(C=C(C=C2)Cl)Cl)F)C(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C15H11Cl2FO2.C7H9N/c1-8(15(19)20)9-2-4-12(14(18)6-9)11-5-3-10(16)7-13(11)17;8-6-7-4-2-1-3-5-7/h2-8H,1H3,(H,19,20);1-5H,6,8H2