2-azanyl-3-[2-[2,4-bis(chloranyl)phenoxy]ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2,4-bis(chloranyl)phenoxy]ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(2,4-dichlorophenoxy)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(2,4-dichlorophenoxy)ethylthio]propionic acid Formula: C11H13Cl2NO3S MolecularWeight: 310.19682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)OCCSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OCCSCC(C(=O)O)N

InChI

InChI=1S/C11H13Cl2NO3S/c12-7-1-2-10(8(13)5-7)17-3-4-18-6-9(14)11(15)16/h1-2,5,9H,3-4,6,14H2,(H,15,16)