tert-butyl (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) carbonate

Systemtic Name: tert-butyl (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) carbonate Openeye Name: tert-butyl (2-chloro-4-fluoro-5-isothiocyanato-phenyl) carbonate CAS Name: carbonic acid tert-butyl (2-chloro-4-fluoro-5-isothiocyanatophenyl) ester IUPAC Name: tert-butyl (2-chloro-4-fluoro-5-isothiocyanatophenyl) carbonate Traditional Name: carbonic acid tert-butyl (2-chloro-4-fluoro-5-isothiocyanato-phenyl) ester Formula: C12H11ClFNO3S MolecularWeight: 303.737043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C12H11ClFNO3S/c1-12(2,3)18-11(16)17-10-5-9(15-6-19)8(14)4-7(10)13/h4-5H,1-3H3