(2S)-2-azaniumyl-3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(2,6-dichlorophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(2,6-dichlorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(2,6-dichlorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(2,6-dichlorobenzyl)thio]propionate Formula: C10H11Cl2NO2S MolecularWeight: 280.17084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSCC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC[C@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C10H11Cl2NO2S/c11-7-2-1-3-8(12)6(7)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m1/s1