2-methylsulfanyl-3-sulfo-butanedioic acid

Systemtic Name: 2-methylsulfanyl-3-sulfo-butanedioic acid Openeye Name: 2-methylsulfanyl-3-sulfo-butanedioic acid CAS Name: 2-(methylthio)-3-sulfobutanedioic acid IUPAC Name: 2-methylsulfanyl-3-sulfobutanedioic acid Traditional Name: 2-(methylthio)-3-sulfo-succinic acid Formula: C5H8O7S2 MolecularWeight: 244.24282

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CSC(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C5H8O7S2/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)