2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoic acid

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoic acid Openeye Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetic acid CAS Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetic acid IUPAC Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetic acid Traditional Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetic acid Formula: C9H5ClFNO3S MolecularWeight: 261.657303

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1OCC(=O)O)Cl)F)N=C=S

Isomeric SMILES

C1=C(C(=CC(=C1OCC(=O)O)Cl)F)N=C=S

InChI

InChI=1S/C9H5ClFNO3S/c10-5-1-6(11)7(12-4-16)2-8(5)15-3-9(13)14/h1-2H,3H2,(H,13,14)