disodium 2-oxidanylpropane-1,2,3-tricarboxylic acid sulfate

Systemtic Name: disodium 2-oxidanylpropane-1,2,3-tricarboxylic acid sulfate Openeye Name: disodium citric acid sulfate CAS Name: disodium 2-hydroxypropane-1,2,3-tricarboxylic acid sulfate IUPAC Name: disodium 2-hydroxypropane-1,2,3-tricarboxylic acid sulfate Traditional Name: disodium citric acid sulfate Formula: C6H8Na2O11S MolecularWeight: 334.16566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.2Na.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;(H2,1,2,3,4)/q;2*+1;/p-2