2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoic acid Openeye Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoic acid CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid IUPAC Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoic acid Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid Formula: C10H7ClFNO2S2 MolecularWeight: 291.749483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C10H7ClFNO2S2/c1-5(10(14)15)17-9-3-8(13-4-16)7(12)2-6(9)11/h2-3,5H,1H3,(H,14,15)