trisodium 2-(1-hydroxyethylamino)-3-sulfo-butanedioate

Systemtic Name: trisodium 2-(1-hydroxyethylamino)-3-sulfo-butanedioate Openeye Name: trisodium 2-(1-hydroxyethylamino)-3-sulfo-butanedioate CAS Name: trisodium 2-(1-hydroxyethylamino)-3-sulfobutanedioate IUPAC Name: trisodium 2-(1-hydroxyethylamino)-3-sulfobutanedioate Traditional Name: trisodium 2-(1-hydroxyethylamino)-3-sulfo-succinate Formula: C6H9NNa3O8S+ MolecularWeight: 324.17187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11NO8S.3Na/c1-2(8)7-3(5(9)10)4(6(11)12)16(13,14)15;;;/h2-4,7-8H,1H3,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-2