2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylcyclobutane-1-carboxylic acid

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylcyclobutane-1-carboxylic acid Openeye Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylcyclobutanecarboxylic acid CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylcyclobutane-1-carboxylic acid Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]cyclobutanecarboxylic acid Formula: C12H9ClFNO2S2 MolecularWeight: 317.786763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

Isomeric SMILES

C1CC(C1C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

InChI

InChI=1S/C12H9ClFNO2S2/c13-7-3-8(14)9(15-5-18)4-11(7)19-10-2-1-6(10)12(16)17/h3-4,6,10H,1-2H2,(H,16,17)