2-(3-ethanoylsulfanyl-2-methyl-propanoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)cyclohexane-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)cyclohexanecarboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)cyclohexane-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]cyclohexanecarboxylic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)C1CCCCC1C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)C1CCCCC1C(=O)O

InChI

InChI=1S/C13H20O4S/c1-8(7-18-9(2)14)12(15)10-5-3-4-6-11(10)13(16)17/h8,10-11H,3-7H2,1-2H3,(H,16,17)