trisodium 2-sulfobutanedioate

Systemtic Name: trisodium 2-sulfobutanedioate Openeye Name: trisodium 2-sulfobutanedioate CAS Name: trisodium 2-sulfobutanedioate IUPAC Name: trisodium 2-sulfobutanedioate Traditional Name: trisodium 2-sulfosuccinate Formula: C4H4Na3O7S+ MolecularWeight: 265.10467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O7S.3Na/c5-3(6)1-2(4(7)8)12(9,10)11;;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;3*+1/p-2