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

Systemtic Name: sodium (2S,3S,4S,5R,6S)-6-(2,6-dimethylphenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium (2S,3S,4S,5R,6S)-6-(2,6-dimethylphenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: sodium (2S,3S,4S,5R,6S)-6-(2,6-dimethylphenoxy)-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium (2S,3S,4S,5R,6S)-6-(2,6-dimethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium (2S,3S,4S,5R,6S)-6-(2,6-dimethylphenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C14H17NaO7 MolecularWeight: 320.27035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C14H18O7.Na/c1-6-4-3-5-7(2)11(6)20-14-10(17)8(15)9(16)12(21-14)13(18)19;/h3-5,8-10,12,14-17H,1-2H3,(H,18,19);/q;+1/p-1/t8-,9-,10+,12-,14+;/m0./s1