2-(3-sulfanyloctyl)pentanedioic acid

Systemtic Name: 2-(3-sulfanyloctyl)pentanedioic acid Openeye Name: 2-(3-sulfanyloctyl)pentanedioic acid CAS Name: 2-(3-mercaptooctyl)pentanedioic acid IUPAC Name: 2-(3-sulfanyloctyl)pentanedioic acid Traditional Name: 2-(3-mercaptooctyl)glutaric acid Formula: C13H24O4S MolecularWeight: 276.39226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

CCCCCC(CCC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C13H24O4S/c1-2-3-4-5-11(18)8-6-10(13(16)17)7-9-12(14)15/h10-11,18H,2-9H2,1H3,(H,14,15)(H,16,17)