(2S,5R)-2-benzamido-6,6,6-tris(fluoranyl)-5-oxidanyl-hexanoic acid

Systemtic Name: (2S,5R)-2-benzamido-6,6,6-tris(fluoranyl)-5-oxidanyl-hexanoic acid Openeye Name: (2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxy-hexanoic acid CAS Name: (2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid IUPAC Name: (2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid Traditional Name: (2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxy-hexanoic acid Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCC(C(F)(F)F)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC[C@H](C(F)(F)F)O)C(=O)O

InChI

InChI=1S/C13H14F3NO4/c14-13(15,16)10(18)7-6-9(12(20)21)17-11(19)8-4-2-1-3-5-8/h1-5,9-10,18H,6-7H2,(H,17,19)(H,20,21)/t9-,10+/m0/s1