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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCOC(=O)COC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C13H13ClFNO3S/c1-2-3-4-18-13(17)7-19-12-6-11(16-8-20)10(15)5-9(12)14/h5-6H,2-4,7H2,1H3