N-(3,4-dichlorophenyl)-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-(3,4-dichlorophenyl)-2,2-diphosphonato-ethanethioamide Openeye Name: N-(3,4-dichlorophenyl)-2,2-diphosphonato-thioacetamide CAS Name: N-(3,4-dichlorophenyl)-2,2-diphosphonatoethanethioamide IUPAC Name: N-(3,4-dichlorophenyl)-2,2-diphosphonatoethanethioamide Traditional Name: N-(3,4-dichlorophenyl)-2,2-diphosphonato-thioacetamide Formula: C8H5Cl2NO6P2S-4 MolecularWeight: 376.046922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-])Cl)Cl

InChI

InChI=1S/C8H9Cl2NO6P2S/c9-5-2-1-4(3-6(5)10)11-7(20)8(18(12,13)14)19(15,16)17/h1-3,8H,(H,11,20)(H2,12,13,14)(H2,15,16,17)/p-4