5-(2-methylpropanoylsulfanyl)octanoic acid

Systemtic Name: 5-(2-methylpropanoylsulfanyl)octanoic acid Openeye Name: 5-(2-methylpropanoylsulfanyl)octanoic acid CAS Name: 5-[(2-methyl-1-oxopropyl)thio]octanoic acid IUPAC Name: 5-(2-methylpropanoylsulfanyl)octanoic acid Traditional Name: 5-(isobutyrylthio)caprylic acid Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=O)O)SC(=O)C(C)C

Isomeric SMILES

CCCC(CCCC(=O)O)SC(=O)C(C)C

InChI

InChI=1S/C12H22O3S/c1-4-6-10(7-5-8-11(13)14)16-12(15)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)