3-butyl-2-ethanoyl-2-oxidanyl-3-sulfanylcarbonyl-heptanoic acid

Systemtic Name: 3-butyl-2-ethanoyl-2-oxidanyl-3-sulfanylcarbonyl-heptanoic acid Openeye Name: 2-acetyl-3-butyl-2-hydroxy-3-sulfanylcarbonyl-heptanoic acid CAS Name: 2-acetyl-3-butyl-2-hydroxy-3-[mercapto(oxo)methyl]heptanoic acid IUPAC Name: 2-acetyl-3-butyl-2-hydroxy-3-sulfanylcarbonylheptanoic acid Traditional Name: 2-acetyl-3-butyl-2-hydroxy-3-thiocarboxy-enanthic acid Formula: C14H24O5S MolecularWeight: 304.40236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)S)C(C(=O)C)(C(=O)O)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)S)C(C(=O)C)(C(=O)O)O

InChI

InChI=1S/C14H24O5S/c1-4-6-8-13(12(18)20,9-7-5-2)14(19,10(3)15)11(16)17/h19H,4-9H2,1-3H3,(H,16,17)(H,18,20)