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

Systemtic Name: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-ethanethioamide Openeye Name: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-thioacetamide CAS Name: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-diphosphonatoethanethioamide IUPAC Name: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-diphosphonatoethanethioamide Traditional Name: N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-diphosphonato-thioacetamide Formula: C10H8F3NO7P2S-4 MolecularWeight: 405.180752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(F)(F)F

InChI

InChI=1S/C10H12F3NO7P2S/c1-21-7-3-2-5(4-6(7)10(11,12)13)14-8(24)9(22(15,16)17)23(18,19)20/h2-4,9H,1H3,(H,14,24)(H2,15,16,17)(H2,18,19,20)/p-4