butan-2-yl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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