isocyanatobenzene; 2,2,2-tris(chloranyl)-1-isocyanato-ethanone

Systemtic Name: isocyanatobenzene; 2,2,2-tris(chloranyl)-1-isocyanato-ethanone Openeye Name: isocyanatobenzene; 2,2,2-trichloroacetyl isocyanate CAS Name: isocyanatobenzene; 2,2,2-trichloro-1-isocyanatoethanone IUPAC Name: isocyanatobenzene; 2,2,2-trichloroacetyl isocyanate Traditional Name: isocyanatobenzene; 2,2,2-trichloro-1-isocyanato-ethanone Formula: C10H5Cl3N2O3 MolecularWeight: 307.5173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C=O.C(=NC(=O)C(Cl)(Cl)Cl)=O

Isomeric SMILES

C1=CC=C(C=C1)N=C=O.C(=NC(=O)C(Cl)(Cl)Cl)=O

InChI

InChI=1S/C7H5NO.C3Cl3NO2/c9-6-8-7-4-2-1-3-5-7;4-3(5,6)2(9)7-1-8/h1-5H;