2-bromoethyl 4-[3,4-dicyano-2,5,6-tris(fluoranyl)phenoxy]-3-phenyl-benzoate

Systemtic Name: 2-bromoethyl 4-[3,4-dicyano-2,5,6-tris(fluoranyl)phenoxy]-3-phenyl-benzoate Openeye Name: 2-bromoethyl 4-(3,4-dicyano-2,5,6-trifluoro-phenoxy)-3-phenyl-benzoate CAS Name: 4-(3,4-dicyano-2,5,6-trifluorophenoxy)-3-phenylbenzoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 4-(3,4-dicyano-2,5,6-trifluorophenoxy)-3-phenylbenzoate Traditional Name: 4-(3,4-dicyano-2,5,6-trifluoro-phenoxy)-3-phenyl-benzoic acid 2-bromoethyl ester Formula: C23H12BrF3N2O3 MolecularWeight: 501.25219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OCCBr)OC3=C(C(=C(C(=C3F)F)C#N)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OCCBr)OC3=C(C(=C(C(=C3F)F)C#N)C#N)F

InChI

InChI=1S/C23H12BrF3N2O3/c24-8-9-31-23(30)14-6-7-18(15(10-14)13-4-2-1-3-5-13)32-22-20(26)17(12-29)16(11-28)19(25)21(22)27/h1-7,10H,8-9H2