5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: 5-(2,4-difluorophenyl)-2-hydroxy-benzoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 5-(2,4-difluorophenyl)-2-hydroxy-benzoate; 2-hydroxyethyl(trimethyl)ammonium Formula: C18H21F2NO4 MolecularWeight: 353.360446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CCO.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O

InChI

InChI=1S/C13H8F2O3.C5H14NO/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;1-6(2,3)4-5-7/h1-6,16H,(H,17,18);7H,4-5H2,1-3H3/q;+1/p-1