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4-(3-fluoranyl-4-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

4-(3-fluoranyl-4-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

Systemtic Name:4-(3-fluoranyl-4-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid
Openeye Name:4-(3-fluoro-4-nitro-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CAS Name:4-(3-fluoro-4-nitrophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
IUPAC Name:4-(3-fluoro-4-nitrophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
Traditional Name:4-(3-fluoro-4-nitro-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid
Formula: C13H13F4NO5
MolecularWeight: 339.239633
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=CC(=C(C=C1)[N+](=O)[O-])F


Isomeric SMILES

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=CC(=C(C=C1)[N+](=O)[O-])F


InChI

InChI=1S/C13H13F4NO5/c1-11(2,6-12(21,10(19)20)13(15,16)17)7-3-4-9(18(22)23)8(14)5-7/h3-5,21H,6H2,1-2H3,(H,19,20)


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