1-[3-(butylsulfanylmethyl)-5-chloranyl-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-(butylsulfanylmethyl)-5-chloranyl-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[3-(butylsulfanylmethyl)-5-chloro-2-hydroxy-phenyl]ethanone CAS Name: 1-[3-[(butylthio)methyl]-5-chloro-2-hydroxyphenyl]ethanone IUPAC Name: 1-[3-(butylsulfanylmethyl)-5-chloro-2-hydroxyphenyl]ethanone Traditional Name: 1-[3-[(butylthio)methyl]-5-chloro-2-hydroxy-phenyl]ethanone Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C(=CC(=C1)Cl)C(=O)C)O

Isomeric SMILES

CCCCSCC1=C(C(=CC(=C1)Cl)C(=O)C)O

InChI

InChI=1S/C13H17ClO2S/c1-3-4-5-17-8-10-6-11(14)7-12(9(2)15)13(10)16/h6-7,16H,3-5,8H2,1-2H3