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

Systemtic Name: 1-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylcyclobutane-1-carboxylic acid Openeye Name: 1-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylcyclobutanecarboxylic acid CAS Name: 1-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]-1-cyclobutanecarboxylic acid IUPAC Name: 1-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylcyclobutane-1-carboxylic acid Traditional Name: 1-[(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(C1)(C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

Isomeric SMILES

C1CC(C1)(C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

InChI

InChI=1S/C12H9ClFNO2S2/c13-7-4-8(14)9(15-6-18)5-10(7)19-12(11(16)17)2-1-3-12/h4-5H,1-3H2,(H,16,17)