2-(2-sulfanylethanoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(2-sulfanylethanoyl)cyclohexane-1-carboxylic acid Openeye Name: 2-(2-sulfanylacetyl)cyclohexanecarboxylic acid CAS Name: 2-(2-mercapto-1-oxoethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-sulfanylacetyl)cyclohexane-1-carboxylic acid Traditional Name: 2-(2-mercaptoacetyl)cyclohexanecarboxylic acid Formula: C9H14O3S MolecularWeight: 202.27066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)CS)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)CS)C(=O)O

InChI

InChI=1S/C9H14O3S/c10-8(5-13)6-3-1-2-4-7(6)9(11)12/h6-7,13H,1-5H2,(H,11,12)