tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoate

Systemtic Name: tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoate Openeye Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetate CAS Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetate Traditional Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetic acid tert-butyl ester Formula: C13H13ClFNO3S MolecularWeight: 317.763623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C13H13ClFNO3S/c1-13(2,3)19-12(17)6-18-11-5-10(16-7-20)9(15)4-8(11)14/h4-5H,6H2,1-3H3