ethyl 4-(4-bromophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate

Systemtic Name: ethyl 4-(4-bromophenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoate Openeye Name: ethyl 4-(4-bromophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate CAS Name: 4-(4-bromophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoate Traditional Name: 4-(4-bromophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid ethyl ester Formula: C15H18BrF3O3 MolecularWeight: 383.20083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)(C)C1=CC=C(C=C1)Br)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(CC(C)(C)C1=CC=C(C=C1)Br)(C(F)(F)F)O

InChI

InChI=1S/C15H18BrF3O3/c1-4-22-12(20)14(21,15(17,18)19)9-13(2,3)10-5-7-11(16)8-6-10/h5-8,21H,4,9H2,1-3H3