bromanylethane; [(Z)-3-oxidanyl-2-phenyl-prop-2-enyl] 2,2-bis(4-fluorophenyl)-2-oxidanyl-ethanoate

Systemtic Name: bromanylethane; [(Z)-3-oxidanyl-2-phenyl-prop-2-enyl] 2,2-bis(4-fluorophenyl)-2-oxidanyl-ethanoate Openeye Name: bromoethane; [(Z)-3-hydroxy-2-phenyl-allyl] 2,2-bis(4-fluorophenyl)-2-hydroxy-acetate CAS Name: 2,2-bis(4-fluorophenyl)-2-hydroxyacetic acid [(Z)-3-hydroxy-2-phenylprop-2-enyl] ester; bromoethane IUPAC Name: bromoethane; [(Z)-3-hydroxy-2-phenylprop-2-enyl] 2,2-bis(4-fluorophenyl)-2-hydroxyacetate Traditional Name: 2,2-bis(4-fluorophenyl)-2-hydroxy-acetic acid [(Z)-3-hydroxy-2-phenyl-allyl] ester; bromoethane Formula: C25H23BrF2O4 MolecularWeight: 505.348526

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Descriptors Computed from Structure

Canonical SMILES:

CCBr.C1=CC=C(C=C1)C(=CO)COC(=O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCBr.C1=CC=C(C=C1)/C(=C/O)/COC(=O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C23H18F2O4.C2H5Br/c24-20-10-6-18(7-11-20)23(28,19-8-12-21(25)13-9-19)22(27)29-15-17(14-26)16-4-2-1-3-5-16;1-2-3/h1-14,26,28H,15H2;2H2,1H3/b17-14+;