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

Systemtic Name: pentyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)propanoate Openeye Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)propanoate CAS Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)propanoic acid pentyl ester IUPAC Name: pentyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)propanoate Traditional Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)propionic acid amyl ester Formula: C15H17ClFNO3S MolecularWeight: 345.816783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)OC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCCOC(=O)C(C)OC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C15H17ClFNO3S/c1-3-4-5-6-20-15(19)10(2)21-14-8-13(18-9-22)12(17)7-11(14)16/h7-8,10H,3-6H2,1-2H3