2-(2-methylpropanoyl)-2-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-(2-methylpropanoyl)-2-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-(2-methylpropanoyl)-2-(sulfanylmethyl)pentanedioic acid CAS Name: 2-(mercaptomethyl)-2-(2-methyl-1-oxopropyl)pentanedioic acid IUPAC Name: 2-(2-methylpropanoyl)-2-(sulfanylmethyl)pentanedioic acid Traditional Name: 2-isobutyryl-2-(mercaptomethyl)glutaric acid Formula: C10H16O5S MolecularWeight: 248.29604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CCC(=O)O)(CS)C(=O)O

Isomeric SMILES

CC(C)C(=O)C(CCC(=O)O)(CS)C(=O)O

InChI

InChI=1S/C10H16O5S/c1-6(2)8(13)10(5-16,9(14)15)4-3-7(11)12/h6,16H,3-5H2,1-2H3,(H,11,12)(H,14,15)