2-butanoyl-2-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-butanoyl-2-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-butanoyl-2-(sulfanylmethyl)pentanedioic acid CAS Name: 2-(mercaptomethyl)-2-(1-oxobutyl)pentanedioic acid IUPAC Name: 2-butanoyl-2-(sulfanylmethyl)pentanedioic acid Traditional Name: 2-butyryl-2-(mercaptomethyl)glutaric acid Formula: C10H16O5S MolecularWeight: 248.29604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCC(=O)O)(CS)C(=O)O

Isomeric SMILES

CCCC(=O)C(CCC(=O)O)(CS)C(=O)O

InChI

InChI=1S/C10H16O5S/c1-2-3-7(11)10(6-16,9(14)15)5-4-8(12)13/h16H,2-6H2,1H3,(H,12,13)(H,14,15)