sodium 6-hexan-2-yloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium 6-hexan-2-yloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium 3,4,5-trihydroxy-6-(1-methylpentoxy)tetrahydropyran-2-carboxylate CAS Name: sodium 6-hexan-2-yloxy-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: sodium 6-hexan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: sodium 3,4,5-trihydroxy-6-(1-methylpentoxy)tetrahydropyran-2-carboxylate Formula: C12H21NaO7 MolecularWeight: 300.28071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CCCCC(C)OC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C12H22O7.Na/c1-3-4-5-6(2)18-12-9(15)7(13)8(14)10(19-12)11(16)17;/h6-10,12-15H,3-5H2,1-2H3,(H,16,17);/q;+1/p-1