pentasodium 2-(carboxymethyl)-2-oxidanyl-butanedioate phosphate

Systemtic Name: pentasodium 2-(carboxymethyl)-2-oxidanyl-butanedioate phosphate Openeye Name: pentasodium 2-(carboxymethyl)-2-hydroxy-butanedioate phosphate CAS Name: pentasodium 2-(carboxymethyl)-2-hydroxybutanedioate phosphate IUPAC Name: pentasodium 2-(carboxymethyl)-2-hydroxybutanedioate phosphate Traditional Name: pentasodium 2-(carboxymethyl)-2-hydroxy-succinate phosphate Formula: C6H6Na5O11P MolecularWeight: 400.027851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.5Na.H3O4P/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);;;;;;(H3,1,2,3,4)/q;5*+1;/p-5