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3-[1-[3,4-bis(chloranyl)-2-propyl-phenyl]ethylsulfanyl]propanoic acid

3-[1-[3,4-bis(chloranyl)-2-propyl-phenyl]ethylsulfanyl]propanoic acid

Systemtic Name:3-[1-[3,4-bis(chloranyl)-2-propyl-phenyl]ethylsulfanyl]propanoic acid
Openeye Name:3-[1-(3,4-dichloro-2-propyl-phenyl)ethylsulfanyl]propanoic acid
CAS Name:3-[1-(3,4-dichloro-2-propylphenyl)ethylthio]propanoic acid
IUPAC Name:3-[1-(3,4-dichloro-2-propylphenyl)ethylsulfanyl]propanoic acid
Traditional Name:3-[1-(3,4-dichloro-2-propyl-phenyl)ethylthio]propionic acid
Formula: C14H18Cl2O2S
MolecularWeight: 321.26252
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1Cl)Cl)C(C)SCCC(=O)O


Isomeric SMILES

CCCC1=C(C=CC(=C1Cl)Cl)C(C)SCCC(=O)O


InChI

InChI=1S/C14H18Cl2O2S/c1-3-4-11-10(5-6-12(15)14(11)16)9(2)19-8-7-13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)


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