N-(2-chlorophenyl)-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-(2-chlorophenyl)-2,2-diphosphonato-ethanethioamide Openeye Name: N-(2-chlorophenyl)-2,2-diphosphonato-thioacetamide CAS Name: N-(2-chlorophenyl)-2,2-diphosphonatoethanethioamide IUPAC Name: N-(2-chlorophenyl)-2,2-diphosphonatoethanethioamide Traditional Name: N-(2-chlorophenyl)-2,2-diphosphonato-thioacetamide Formula: C8H6ClNO6P2S-4 MolecularWeight: 341.601862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClNO6P2S/c9-5-3-1-2-4-6(5)10-7(19)8(17(11,12)13)18(14,15)16/h1-4,8H,(H,10,19)(H2,11,12,13)(H2,14,15,16)/p-4