heptasodium; bis(oxidanidyl)boranyloxy phosphate; propane-1,2,3-tricarboxylate

Systemtic Name: heptasodium; bis(oxidanidyl)boranyloxy phosphate; propane-1,2,3-tricarboxylate Openeye Name: heptasodium; dioxidoboranyloxy phosphate; propane-1,2,3-tricarboxylate CAS Name: heptasodium; dioxidoboranyloxy phosphate; propane-1,2,3-tricarboxylate IUPAC Name: heptasodium; dioxidoboranyloxy phosphate; propane-1,2,3-tricarboxylate Traditional Name: heptasodium; dioxidoboranyloxy phosphate; propane-1,2,3-tricarboxylate Formula: C6H5BNa7O13P MolecularWeight: 487.809251

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])OOP(=O)([O-])[O-].C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

B([O-])([O-])OOP(=O)([O-])[O-].C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H8O6.BH2O7P.7Na/c7-4(8)1-3(6(11)12)2-5(9)10;2-1(3)7-8-9(4,5)6;;;;;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H2,4,5,6);;;;;;;/q;-2;7*+1/p-5