1-sulfanylcyclohexane-1,2-dicarboxylic acid

Systemtic Name: 1-sulfanylcyclohexane-1,2-dicarboxylic acid Openeye Name: 1-sulfanylcyclohexane-1,2-dicarboxylic acid CAS Name: 1-mercaptocyclohexane-1,2-dicarboxylic acid IUPAC Name: 1-sulfanylcyclohexane-1,2-dicarboxylic acid Traditional Name: 1-mercaptocyclohexane-1,2-dicarboxylic acid Formula: C8H12O4S MolecularWeight: 204.24348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)(C(=O)O)S

Isomeric SMILES

C1CCC(C(C1)C(=O)O)(C(=O)O)S

InChI

InChI=1S/C8H12O4S/c9-6(10)5-3-1-2-4-8(5,13)7(11)12/h5,13H,1-4H2,(H,9,10)(H,11,12)