trisodium 2-ethylsulfanyl-3-sulfo-butanedioate

Systemtic Name: trisodium 2-ethylsulfanyl-3-sulfo-butanedioate Openeye Name: trisodium 2-ethylsulfanyl-3-sulfo-butanedioate CAS Name: trisodium 2-(ethylthio)-3-sulfobutanedioate IUPAC Name: trisodium 2-ethylsulfanyl-3-sulfobutanedioate Traditional Name: trisodium 2-(ethylthio)-3-sulfo-succinate Formula: C6H8Na3O7S2+ MolecularWeight: 325.22283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O7S2.3Na/c1-2-14-3(5(7)8)4(6(9)10)15(11,12)13;;;/h3-4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12,13);;;/q;3*+1/p-2