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

Systemtic Name: 1-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylcyclopropane-1-carboxylic acid Openeye Name: 1-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylcyclopropanecarboxylic acid CAS Name: 1-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]-1-cyclopropanecarboxylic acid IUPAC Name: 1-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylcyclopropane-1-carboxylic acid Traditional Name: 1-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]cyclopropanecarboxylic acid Formula: C11H7ClFNO2S2 MolecularWeight: 303.760183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

Isomeric SMILES

C1CC1(C(=O)O)SC2=C(C=C(C(=C2)N=C=S)F)Cl

InChI

InChI=1S/C11H7ClFNO2S2/c12-6-3-7(13)8(14-5-17)4-9(6)18-11(1-2-11)10(15)16/h3-4H,1-2H2,(H,15,16)