trisodium 2-methylsulfanyl-3-sulfo-butanedioate

Systemtic Name: trisodium 2-methylsulfanyl-3-sulfo-butanedioate Openeye Name: trisodium 2-methylsulfanyl-3-sulfo-butanedioate CAS Name: trisodium 2-(methylthio)-3-sulfobutanedioate IUPAC Name: trisodium 2-methylsulfanyl-3-sulfobutanedioate Traditional Name: trisodium 2-(methylthio)-3-sulfo-succinate Formula: C5H6Na3O7S2+ MolecularWeight: 311.19625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O7S2.3Na/c1-13-2(4(6)7)3(5(8)9)14(10,11)12;;;/h2-3H,1H3,(H,6,7)(H,8,9)(H,10,11,12);;;/q;3*+1/p-2