sodium (3S,4R,6S)-3,4,5-tris(oxidanyl)-6-quinolin-8-yloxy-oxane-2-carboxylate

Systemtic Name: sodium (3S,4R,6S)-3,4,5-tris(oxidanyl)-6-quinolin-8-yloxy-oxane-2-carboxylate Openeye Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylate CAS Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-(8-quinolinyloxy)-2-oxanecarboxylate IUPAC Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylate Traditional Name: sodium (3S,4R,6S)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylate Formula: C15H14NNaO7 MolecularWeight: 343.26393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)N=CC=C2.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)O[C@H]3C([C@@H]([C@@H](C(O3)C(=O)[O-])O)O)O)N=CC=C2.[Na+]

InChI

InChI=1S/C15H15NO7.Na/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8;/h1-6,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11+,12?,13?,15-;/m1./s1