(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) pentyl carbonate

Systemtic Name: (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) pentyl carbonate Openeye Name: (2-chloro-4-fluoro-5-isothiocyanato-phenyl) pentyl carbonate CAS Name: carbonic acid (2-chloro-4-fluoro-5-isothiocyanatophenyl) pentyl ester IUPAC Name: (2-chloro-4-fluoro-5-isothiocyanatophenyl) pentyl carbonate Traditional Name: carbonic acid amyl (2-chloro-4-fluoro-5-isothiocyanato-phenyl) ester Formula: C13H13ClFNO3S MolecularWeight: 317.763623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClFNO3S/c1-2-3-4-5-18-13(17)19-12-7-11(16-8-20)10(15)6-9(12)14/h6-7H,2-5H2,1H3