1-chloranylbutyl 2,2-bis(chloranyl)-2-sulfanyl-ethanoate

Systemtic Name: 1-chloranylbutyl 2,2-bis(chloranyl)-2-sulfanyl-ethanoate Openeye Name: 1-chlorobutyl 2,2-dichloro-2-sulfanyl-acetate CAS Name: 2,2-dichloro-2-mercaptoacetic acid 1-chlorobutyl ester IUPAC Name: 1-chlorobutyl 2,2-dichloro-2-sulfanylacetate Traditional Name: 2,2-dichloro-2-mercapto-acetic acid 1-chlorobutyl ester Formula: C6H9Cl3O2S MolecularWeight: 251.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)C(S)(Cl)Cl)Cl

Isomeric SMILES

CCCC(OC(=O)C(S)(Cl)Cl)Cl

InChI

InChI=1S/C6H9Cl3O2S/c1-2-3-4(7)11-5(10)6(8,9)12/h4,12H,2-3H2,1H3