2-(2-sulfanylhexan-3-yl)pentanedioic acid

Systemtic Name: 2-(2-sulfanylhexan-3-yl)pentanedioic acid Openeye Name: 2-[1-(1-sulfanylethyl)butyl]pentanedioic acid CAS Name: 2-(2-mercaptohexan-3-yl)pentanedioic acid IUPAC Name: 2-(2-sulfanylhexan-3-yl)pentanedioic acid Traditional Name: 2-[1-(1-mercaptoethyl)butyl]glutaric acid Formula: C11H20O4S MolecularWeight: 248.3391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)S)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(C)S)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C11H20O4S/c1-3-4-8(7(2)16)9(11(14)15)5-6-10(12)13/h7-9,16H,3-6H2,1-2H3,(H,12,13)(H,14,15)