3-methyl-3-sulfanyl-pentanedioic acid

Systemtic Name: 3-methyl-3-sulfanyl-pentanedioic acid Openeye Name: 3-methyl-3-sulfanyl-pentanedioic acid CAS Name: 3-mercapto-3-methylpentanedioic acid IUPAC Name: 3-methyl-3-sulfanylpentanedioic acid Traditional Name: 3-mercapto-3-methyl-glutaric acid Formula: C6H10O4S MolecularWeight: 178.2062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(CC(=O)O)S

Isomeric SMILES

CC(CC(=O)O)(CC(=O)O)S

InChI

InChI=1S/C6H10O4S/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)