N-phenyl-N',2-bis[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]propanediamide

Systemtic Name: N-phenyl-N',2-bis[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]propanediamide Openeye Name: N-phenyl-N',2-bis(2,2,2-trichloro-1-hydroxy-ethyl)propanediamide CAS Name: N-phenyl-N',2-bis(2,2,2-trichloro-1-hydroxyethyl)propanediamide IUPAC Name: N-phenyl-N',2-bis(2,2,2-trichloro-1-hydroxyethyl)propanediamide Traditional Name: N-phenyl-N',2-bis(2,2,2-trichloro-1-hydroxy-ethyl)malonamide Formula: C13H12Cl6N2O4 MolecularWeight: 472.96338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl6N2O4/c14-12(15,16)8(22)7(10(24)21-11(25)13(17,18)19)9(23)20-6-4-2-1-3-5-6/h1-5,7-8,11,22,25H,(H,20,23)(H,21,24)