trisodium (3R,4S,5R)-4,5-bis(oxidanyl)-3-phosphonatooxy-cyclohexene-1-carboxylate

Systemtic Name: trisodium (3R,4S,5R)-4,5-bis(oxidanyl)-3-phosphonatooxy-cyclohexene-1-carboxylate Openeye Name: trisodium (3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxy-cyclohexene-1-carboxylate CAS Name: trisodium (3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxy-1-cyclohexenecarboxylate IUPAC Name: trisodium (3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylate Traditional Name: trisodium (3R,4S,5R)-4,5-dihydroxy-3-phosphato-cyclohexene-1-carboxylate Formula: C7H8Na3O8P MolecularWeight: 320.076691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C7H11O8P.3Na/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14;;;/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14);;;/q;3*+1/p-3/t4-,5-,6+;;;/m1.../s1