(3-isothiocyanato-2,6-dimethyl-phenyl)methyl 3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (3-isothiocyanato-2,6-dimethyl-phenyl)methyl 3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (3-isothiocyanato-2,6-dimethyl-phenyl)methyl 3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-isothiocyanato-2,6-dimethylphenyl)methyl ester IUPAC Name: (3-isothiocyanato-2,6-dimethylphenyl)methyl 3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid (3-isothiocyanato-2,6-dimethyl-benzyl) ester Formula: C19H19ClF3NO2S MolecularWeight: 417.87287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)N=C=S)C)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)N=C=S)C)COC(=O)C2C(C2(C)C)/C=C(\C(F)(F)F)/Cl

InChI

InChI=1S/C19H19ClF3NO2S/c1-10-5-6-14(24-9-27)11(2)12(10)8-26-17(25)16-13(18(16,3)4)7-15(20)19(21,22)23/h5-7,13,16H,8H2,1-4H3/b15-7+