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

Systemtic Name: [3-(4-methylphenyl)-3-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxycarbonylamino]propyl]phosphonic acid Openeye Name: [3-oxo-3-(p-tolyl)-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid CAS Name: [3-(4-methylphenyl)-3-oxo-1-[[oxo(2,2,2-trichloroethoxy)methyl]amino]propyl]phosphonic acid IUPAC Name: [3-(4-methylphenyl)-3-oxo-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid Traditional Name: [3-keto-3-(p-tolyl)-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid Formula: C13H15Cl3NO6P MolecularWeight: 418.594061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(NC(=O)OCC(Cl)(Cl)Cl)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(NC(=O)OCC(Cl)(Cl)Cl)P(=O)(O)O

InChI

InChI=1S/C13H15Cl3NO6P/c1-8-2-4-9(5-3-8)10(18)6-11(24(20,21)22)17-12(19)23-7-13(14,15)16/h2-5,11H,6-7H2,1H3,(H,17,19)(H2,20,21,22)