[3-(4-chlorophenyl)-3-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxycarbonylamino]propyl]phosphonic acid

Systemtic Name: [3-(4-chlorophenyl)-3-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxycarbonylamino]propyl]phosphonic acid Openeye Name: [3-(4-chlorophenyl)-3-oxo-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid CAS Name: [3-(4-chlorophenyl)-3-oxo-1-[[oxo(2,2,2-trichloroethoxy)methyl]amino]propyl]phosphonic acid IUPAC Name: [3-(4-chlorophenyl)-3-oxo-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid Traditional Name: [3-(4-chlorophenyl)-3-keto-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid Formula: C12H12Cl4NO6P MolecularWeight: 439.012541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(NC(=O)OCC(Cl)(Cl)Cl)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(NC(=O)OCC(Cl)(Cl)Cl)P(=O)(O)O)Cl

InChI

InChI=1S/C12H12Cl4NO6P/c13-8-3-1-7(2-4-8)9(18)5-10(24(20,21)22)17-11(19)23-6-12(14,15)16/h1-4,10H,5-6H2,(H,17,19)(H2,20,21,22)