(1R,2S,3R,4R,5R)-3-azanyl-1,2,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (1R,2S,3R,4R,5R)-3-azanyl-1,2,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (1R,2S,3R,4R,5R)-3-amino-1,2,4,5-tetrahydroxy-cyclohexanecarboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: (1R,2S,3R,4R,5R)-3-amino-1,2,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (1R,2S,3R,4R,5R)-3-amino-1,2,4,5-tetrahydroxycyclohexane-1-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: (1R,2S,3R,4R,5R)-3-amino-1,2,4,5-tetrahydroxy-cyclohexanecarboxylic acid; 2,2,2-trifluoroacetic acid Formula: C9H14F3NO8 MolecularWeight: 321.20457

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C(=O)O)O)O)N)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@]1(C(=O)O)O)O)N)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C7H13NO6.C2HF3O2/c8-3-4(10)2(9)1-7(14,5(3)11)6(12)13;3-2(4,5)1(6)7/h2-5,9-11,14H,1,8H2,(H,12,13);(H,6,7)/t2-,3-,4+,5+,7-;/m1./s1