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

Systemtic Name: pentyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoate Openeye Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetate CAS Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetic acid pentyl ester IUPAC Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)acetate Traditional Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)acetic acid amyl ester Formula: C14H15ClFNO3S MolecularWeight: 331.790203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClFNO3S/c1-2-3-4-5-19-14(18)8-20-13-7-12(17-9-21)11(16)6-10(13)15/h6-7H,2-5,8H2,1H3