(2S)-2-azaniumyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-2-methyl-butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-2-methyl-butanoate Openeye Name: (2S)-2-azaniumyl-4-[4-(difluoromethoxy)phenyl]-2-methyl-butanoate CAS Name: (2S)-2-ammonio-4-[4-(difluoromethoxy)phenyl]-2-methylbutanoate IUPAC Name: (2S)-2-azaniumyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutanoate Traditional Name: (2S)-2-ammonio-4-[4-(difluoromethoxy)phenyl]-2-methyl-butyrate Formula: C12H15F2NO3 MolecularWeight: 259.249206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC(F)F)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CCC1=CC=C(C=C1)OC(F)F)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15F2NO3/c1-12(15,10(16)17)7-6-8-2-4-9(5-3-8)18-11(13)14/h2-5,11H,6-7,15H2,1H3,(H,16,17)/t12-/m0/s1