ethyl 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylate CAS Name: 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylate Traditional Name: 2-(4-chlorophenyl)-5,5-bis(4-fluorophenyl)-1,3-dioxane-2-carboxylic acid ethyl ester Formula: C25H21ClF2O4 MolecularWeight: 458.881646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OCC(CO1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(OCC(CO1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClF2O4/c1-2-30-23(29)25(19-3-9-20(26)10-4-19)31-15-24(16-32-25,17-5-11-21(27)12-6-17)18-7-13-22(28)14-8-18/h3-14H,2,15-16H2,1H3