disodium; 2-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]oxybutanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: disodium; 2-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]oxybutanedioate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: disodium 2-(1-carboxylato-3-oxido-3-oxo-propoxy)butanedioate citrate CAS Name: disodium; 2-(1,4-dioxido-1,4-dioxobutan-2-yl)oxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: disodium; 2-(1,4-dioxido-1,4-dioxobutan-2-yl)oxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: disodium 2-(1-carboxylato-3-keto-3-oxido-propoxy)succinate citrate Formula: C14H11Na2O16-5 MolecularWeight: 481.20708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O9.C6H8O7.2Na/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;;2*+1/p-7