tetrasodium; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one; phosphonato phosphate

Systemtic Name: tetrasodium; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one; phosphonato phosphate Openeye Name: tetrasodium; 1,3,4,5,6-pentahydroxyhexan-2-one; phosphonato phosphate CAS Name: tetrasodium; 1,3,4,5,6-pentahydroxy-2-hexanone; phosphonato phosphate IUPAC Name: tetrasodium; 1,3,4,5,6-pentahydroxyhexan-2-one; phosphonato phosphate Traditional Name: tetrasodium; 1,3,4,5,6-pentahydroxyhexan-2-one; phosphonato phosphate Formula: C6H12Na4O13P2 MolecularWeight: 446.058282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O6.4Na.H4O7P2/c7-1-3(9)5(11)6(12)4(10)2-8;;;;;1-8(2,3)7-9(4,5)6/h3,5-9,11-12H,1-2H2;;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4