(4-tert-butylcyclohexyl) 3-sulfanylpropanoate

Systemtic Name: (4-tert-butylcyclohexyl) 3-sulfanylpropanoate Openeye Name: (4-tert-butylcyclohexyl) 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid (4-tert-butylcyclohexyl) ester Formula: C13H24O2S MolecularWeight: 244.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CCS

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CCS

InChI

InChI=1S/C13H24O2S/c1-13(2,3)10-4-6-11(7-5-10)15-12(14)8-9-16/h10-11,16H,4-9H2,1-3H3