N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-ethanethioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-thioacetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-diphosphonatoethanethioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-diphosphonatoethanethioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-thioacetamide Formula: C9H5ClF3NO6P2S-4 MolecularWeight: 409.599832

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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-])C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClF3NO6P2S/c10-6-2-1-4(3-5(6)9(11,12)13)14-7(23)8(21(15,16)17)22(18,19)20/h1-3,8H,(H,14,23)(H2,15,16,17)(H2,18,19,20)/p-4