ethyl (2S)-2-chloranyl-3,3,3-tris(fluoranyl)-2-isocyanato-propanoate

Systemtic Name: ethyl (2S)-2-chloranyl-3,3,3-tris(fluoranyl)-2-isocyanato-propanoate Openeye Name: ethyl (2S)-2-chloro-3,3,3-trifluoro-2-isocyanato-propanoate CAS Name: (2S)-2-chloro-3,3,3-trifluoro-2-isocyanatopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-chloro-3,3,3-trifluoro-2-isocyanatopropanoate Traditional Name: (2S)-2-chloro-3,3,3-trifluoro-2-isocyanato-propionic acid ethyl ester Formula: C6H5ClF3NO3 MolecularWeight: 231.55701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(N=C=O)Cl

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(N=C=O)Cl

InChI

InChI=1S/C6H5ClF3NO3/c1-2-14-4(13)5(7,11-3-12)6(8,9)10/h2H2,1H3/t5-/m1/s1