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

Systemtic Name: 2-(2-sulfanylheptan-3-yl)pentanedioic acid Openeye Name: 2-[1-(1-sulfanylethyl)pentyl]pentanedioic acid CAS Name: 2-(2-mercaptoheptan-3-yl)pentanedioic acid IUPAC Name: 2-(2-sulfanylheptan-3-yl)pentanedioic acid Traditional Name: 2-[1-(1-mercaptoethyl)pentyl]glutaric acid Formula: C12H22O4S MolecularWeight: 262.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)S)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C(C)S)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H22O4S/c1-3-4-5-9(8(2)17)10(12(15)16)6-7-11(13)14/h8-10,17H,3-7H2,1-2H3,(H,13,14)(H,15,16)