bromanylmethane; 2-oxidanyl-2,2-bis[4-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: bromanylmethane; 2-oxidanyl-2,2-bis[4-(trifluoromethyl)phenyl]ethanoate Openeye Name: bromomethane; 2-hydroxy-2,2-bis[4-(trifluoromethyl)phenyl]acetate CAS Name: bromomethane; 2-hydroxy-2,2-bis[4-(trifluoromethyl)phenyl]acetate IUPAC Name: bromomethane; 2-hydroxy-2,2-bis[4-(trifluoromethyl)phenyl]acetate Traditional Name: bromomethane; 2-hydroxy-2,2-bis[4-(trifluoromethyl)phenyl]acetate Formula: C17H12BrF6O3- MolecularWeight: 458.169799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F6O3.CH3Br/c17-15(18,19)11-5-1-9(2-6-11)14(25,13(23)24)10-3-7-12(8-4-10)16(20,21)22;1-2/h1-8,25H,(H,23,24);1H3/p-1