2,2-bis[3,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoate; bromanylethane

Systemtic Name: 2,2-bis[3,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoate; bromanylethane Openeye Name: 2,2-bis(3,4-difluorophenyl)-2-hydroxy-acetate; bromoethane CAS Name: 2,2-bis(3,4-difluorophenyl)-2-hydroxyacetate; bromoethane IUPAC Name: 2,2-bis(3,4-difluorophenyl)-2-hydroxyacetate; bromoethane Traditional Name: 2,2-bis(3,4-difluorophenyl)-2-hydroxy-acetate; bromoethane Formula: C16H12BrF4O3- MolecularWeight: 408.162293

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Descriptors Computed from Structure

Canonical SMILES:

CCBr.C1=CC(=C(C=C1C(C2=CC(=C(C=C2)F)F)(C(=O)[O-])O)F)F

Isomeric SMILES

CCBr.C1=CC(=C(C=C1C(C2=CC(=C(C=C2)F)F)(C(=O)[O-])O)F)F

InChI

InChI=1S/C14H8F4O3.C2H5Br/c15-9-3-1-7(5-11(9)17)14(21,13(19)20)8-2-4-10(16)12(18)6-8;1-2-3/h1-6,21H,(H,19,20);2H2,1H3/p-1