4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethylamino]butanoic acid

Systemtic Name: 4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethylamino]butanoic acid Openeye Name: 4-[2-(2,5-dichlorophenyl)sulfanylethylamino]butanoic acid CAS Name: 4-[2-[(2,5-dichlorophenyl)thio]ethylamino]butanoic acid IUPAC Name: 4-[2-(2,5-dichlorophenyl)sulfanylethylamino]butanoic acid Traditional Name: 4-[2-[(2,5-dichlorophenyl)thio]ethylamino]butyric acid Formula: C12H15Cl2NO2S MolecularWeight: 308.224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCCNCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCCNCCCC(=O)O)Cl

InChI

InChI=1S/C12H15Cl2NO2S/c13-9-3-4-10(14)11(8-9)18-7-6-15-5-1-2-12(16)17/h3-4,8,15H,1-2,5-7H2,(H,16,17)