2-octyl-2-oxidanyl-3-sulfanylcarbonyl-undecanoic acid

Systemtic Name: 2-octyl-2-oxidanyl-3-sulfanylcarbonyl-undecanoic acid Openeye Name: 2-hydroxy-2-octyl-3-sulfanylcarbonyl-undecanoic acid CAS Name: 2-hydroxy-3-[mercapto(oxo)methyl]-2-octylundecanoic acid IUPAC Name: 2-hydroxy-2-octyl-3-sulfanylcarbonylundecanoic acid Traditional Name: 2-hydroxy-2-octyl-3-thiocarboxy-undecanoic acid Formula: C20H38O4S MolecularWeight: 374.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)S)C(CCCCCCCC)(C(=O)O)O

Isomeric SMILES

CCCCCCCCC(C(=O)S)C(CCCCCCCC)(C(=O)O)O

InChI

InChI=1S/C20H38O4S/c1-3-5-7-9-11-13-15-17(18(21)25)20(24,19(22)23)16-14-12-10-8-6-4-2/h17,24H,3-16H2,1-2H3,(H,21,25)(H,22,23)