tetrapotassium; (2E,4E)-hexa-2,4-dienoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tetrapotassium; (2E,4E)-hexa-2,4-dienoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tetrapotassium (2E,4E)-hexa-2,4-dienoate citrate CAS Name: tetrapotassium; (2E,4E)-hexa-2,4-dienoate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: tetrapotassium; (2E,4E)-hexa-2,4-dienoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: tetrapotassium citrate sorbate Formula: C12H12K4O9 MolecularWeight: 456.61148

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[K+]

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[K+]

InChI

InChI=1S/C6H8O7.C6H8O2.4K/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3-4-5-6(7)8;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2-5H,1H3,(H,7,8);;;;/q;;4*+1/p-4/b;3-2+,5-4+;;;;