(2R,3S)-2-azaniumyl-4,4-bis(fluoranyl)-3-(4-hydroxyphenyl)butanoate

Systemtic Name: (2R,3S)-2-azaniumyl-4,4-bis(fluoranyl)-3-(4-hydroxyphenyl)butanoate Openeye Name: (2R,3S)-2-azaniumyl-4,4-difluoro-3-(4-hydroxyphenyl)butanoate CAS Name: (2R,3S)-2-ammonio-4,4-difluoro-3-(4-hydroxyphenyl)butanoate IUPAC Name: (2R,3S)-2-azaniumyl-4,4-difluoro-3-(4-hydroxyphenyl)butanoate Traditional Name: (2R,3S)-2-ammonio-4,4-difluoro-3-(4-hydroxyphenyl)butyrate Formula: C10H11F2NO3 MolecularWeight: 231.196046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(C(=O)[O-])[NH3+])C(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C10H11F2NO3/c11-9(12)7(8(13)10(15)16)5-1-3-6(14)4-2-5/h1-4,7-9,14H,13H2,(H,15,16)/t7-,8+/m0/s1