2-azanyl-3-[3-(4-chloranylphenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(4-chloranylphenoxy)propylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[3-(4-chlorophenoxy)propylsulfanyl]propanoic acid CAS Name: 2-amino-3-[3-(4-chlorophenoxy)propylthio]propanoic acid IUPAC Name: 2-amino-3-[3-(4-chlorophenoxy)propylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[3-(4-chlorophenoxy)propylthio]propionic acid Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCSCC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCSCC(C(=O)O)N)Cl

InChI

InChI=1S/C12H16ClNO3S/c13-9-2-4-10(5-3-9)17-6-1-7-18-8-11(14)12(15)16/h2-5,11H,1,6-8,14H2,(H,15,16)