trisodium (1R,3R,4S,5R)-1,3,4-tris(oxidanyl)-5-phosphonatooxy-cyclohexane-1-carboxylate

Systemtic Name: trisodium (1R,3R,4S,5R)-1,3,4-tris(oxidanyl)-5-phosphonatooxy-cyclohexane-1-carboxylate Openeye Name: trisodium (1R,3R,4S,5R)-1,3,4-trihydroxy-5-phosphonatooxy-cyclohexanecarboxylate CAS Name: trisodium (1R,3R,4S,5R)-1,3,4-trihydroxy-5-phosphonatooxy-1-cyclohexanecarboxylate IUPAC Name: trisodium (1R,3R,4S,5R)-1,3,4-trihydroxy-5-phosphonatooxycyclohexane-1-carboxylate Traditional Name: trisodium (1R,3R,4S,5R)-1,3,4-trihydroxy-5-phosphato-cyclohexanecarboxylate Formula: C7H10Na3O9P MolecularWeight: 338.091971

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)[O-])O)OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)[O-])O)OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C7H13O9P.3Na/c8-3-1-7(12,6(10)11)2-4(5(3)9)16-17(13,14)15;;;/h3-5,8-9,12H,1-2H2,(H,10,11)(H2,13,14,15);;;/q;3*+1/p-3/t3-,4-,5+,7-;;;/m1.../s1