potassium; sodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 1,2,3-trimethoxybenzene

Systemtic Name: potassium; sodium; 2-oxidanylpropane-1,2,3-tricarboxylate; 1,2,3-trimethoxybenzene Openeye Name: potassium sodium 1,2,3-trimethoxybenzene citrate CAS Name: potassium; sodium; 2-hydroxypropane-1,2,3-tricarboxylate; 1,2,3-trimethoxybenzene IUPAC Name: potassium; sodium; 2-hydroxypropane-1,2,3-tricarboxylate; 1,2,3-trimethoxybenzene Traditional Name: potassium sodium 1,2,3-trimethoxybenzene citrate Formula: C15H17KNaO10- MolecularWeight: 419.37755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[K+]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[K+]

InChI

InChI=1S/C9H12O3.C6H8O7.K.Na/c1-10-7-5-4-6-8(11-2)9(7)12-3;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h4-6H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+1/p-3