2-methyl-5-propanoylsulfanyl-octanoic acid

Systemtic Name: 2-methyl-5-propanoylsulfanyl-octanoic acid Openeye Name: 2-methyl-5-propanoylsulfanyl-octanoic acid CAS Name: 2-methyl-5-(1-oxopropylthio)octanoic acid IUPAC Name: 2-methyl-5-propanoylsulfanyloctanoic acid Traditional Name: 2-methyl-5-(propionylthio)caprylic acid Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)C(=O)O)SC(=O)CC

Isomeric SMILES

CCCC(CCC(C)C(=O)O)SC(=O)CC

InChI

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