2-(3-ethanoylsulfanylpropanoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)cyclohexane-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)cyclohexanecarboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)cyclohexane-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]cyclohexanecarboxylic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)C1CCCCC1C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)C1CCCCC1C(=O)O

InChI

InChI=1S/C12H18O4S/c1-8(13)17-7-6-11(14)9-4-2-3-5-10(9)12(15)16/h9-10H,2-7H2,1H3,(H,15,16)