(2S)-2-azanyl-3-[3,5-bis(chloranyl)-4-(3-chloranyl-4-oxidanyl-phenoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3,5-bis(chloranyl)-4-(3-chloranyl-4-oxidanyl-phenoxy)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[3,5-dichloro-4-(3-chloro-4-hydroxy-phenoxy)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[3,5-dichloro-4-(3-chloro-4-hydroxyphenoxy)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3,5-dichloro-4-(3-chloro-4-hydroxyphenoxy)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[3,5-dichloro-4-(3-chloro-4-hydroxy-phenoxy)phenyl]propionic acid Formula: C15H12Cl3NO4 MolecularWeight: 376.61908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2Cl)CC(C(=O)O)N)Cl)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2Cl)C[C@@H](C(=O)O)N)Cl)Cl)O

InChI

InChI=1S/C15H12Cl3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1