2-chloranyl-2-sulfanyl-pentanedioic acid

Systemtic Name: 2-chloranyl-2-sulfanyl-pentanedioic acid Openeye Name: 2-chloro-2-sulfanyl-pentanedioic acid CAS Name: 2-chloro-2-mercaptopentanedioic acid IUPAC Name: 2-chloro-2-sulfanylpentanedioic acid Traditional Name: 2-chloro-2-mercapto-glutaric acid Formula: C5H7ClO4S MolecularWeight: 198.62468

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)(S)Cl)C(=O)O

Isomeric SMILES

C(CC(C(=O)O)(S)Cl)C(=O)O

InChI

InChI=1S/C5H7ClO4S/c6-5(11,4(9)10)2-1-3(7)8/h11H,1-2H2,(H,7,8)(H,9,10)