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

Systemtic Name: sodium (2S,3S,4S,5S,6S)-6-octoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-octoxy-tetrahydropyran-2-carboxylate CAS Name: sodium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-octoxy-2-oxanecarboxylate IUPAC Name: sodium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-octoxyoxane-2-carboxylate Traditional Name: sodium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-octoxy-tetrahydropyran-2-carboxylate Formula: C14H25NaO7 MolecularWeight: 328.33387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C14H26O7.Na/c1-2-3-4-5-6-7-8-20-14-11(17)9(15)10(16)12(21-14)13(18)19;/h9-12,14-17H,2-8H2,1H3,(H,18,19);/q;+1/p-1/t9-,10-,11-,12-,14-;/m0./s1