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

Systemtic Name: 2,2-diphosphonato-N-[3-(trifluoromethyl)phenyl]ethanethioamide Openeye Name: 2,2-diphosphonato-N-[3-(trifluoromethyl)phenyl]thioacetamide CAS Name: 2,2-diphosphonato-N-[3-(trifluoromethyl)phenyl]ethanethioamide IUPAC Name: 2,2-diphosphonato-N-[3-(trifluoromethyl)phenyl]ethanethioamide Traditional Name: 2,2-diphosphonato-N-[3-(trifluoromethyl)phenyl]thioacetamide Formula: C9H6F3NO6P2S-4 MolecularWeight: 375.154772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10F3NO6P2S/c10-9(11,12)5-2-1-3-6(4-5)13-7(22)8(20(14,15)16)21(17,18)19/h1-4,8H,(H,13,22)(H2,14,15,16)(H2,17,18,19)/p-4