2-methoxycarbonyl-2-sulfanyl-butanedioic acid

Systemtic Name: 2-methoxycarbonyl-2-sulfanyl-butanedioic acid Openeye Name: 2-methoxycarbonyl-2-sulfanyl-butanedioic acid CAS Name: 2-mercapto-2-methoxycarbonylbutanedioic acid IUPAC Name: 2-methoxycarbonyl-2-sulfanylbutanedioic acid Traditional Name: 2-carbomethoxy-2-mercapto-succinic acid Formula: C6H8O6S MolecularWeight: 208.18912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)O)(C(=O)O)S

Isomeric SMILES

COC(=O)C(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C6H8O6S/c1-12-5(11)6(13,4(9)10)2-3(7)8/h13H,2H2,1H3,(H,7,8)(H,9,10)