[phosphono-[3-(trifluoromethyl)phenyl]sulfanyl-methyl]phosphonic acid

Systemtic Name: [phosphono-[3-(trifluoromethyl)phenyl]sulfanyl-methyl]phosphonic acid Openeye Name: [phosphono-[3-(trifluoromethyl)phenyl]sulfanyl-methyl]phosphonic acid CAS Name: [phosphono-[[3-(trifluoromethyl)phenyl]thio]methyl]phosphonic acid IUPAC Name: [phosphono-[3-(trifluoromethyl)phenyl]sulfanylmethyl]phosphonic acid Traditional Name: [phosphono-[[3-(trifluoromethyl)phenyl]thio]methyl]phosphonic acid Formula: C8H9F3O6P2S MolecularWeight: 352.161192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C8H9F3O6P2S/c9-8(10,11)5-2-1-3-6(4-5)20-7(18(12,13)14)19(15,16)17/h1-4,7H,(H2,12,13,14)(H2,15,16,17)