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

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoic acid Openeye Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetic acid CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid IUPAC Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylacetic acid Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid Formula: C9H5ClFNO2S2 MolecularWeight: 277.722903

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SCC(=O)O)Cl)F)N=C=S

Isomeric SMILES

C1=C(C(=CC(=C1SCC(=O)O)Cl)F)N=C=S

InChI

InChI=1S/C9H5ClFNO2S2/c10-5-1-6(11)7(12-4-15)2-8(5)16-3-9(13)14/h1-2H,3H2,(H,13,14)