[[2-bromanyl-4-(4-pyridin-2-ylsulfanylbutyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(4-pyridin-2-ylsulfanylbutyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[4-(2-pyridylsulfanyl)butyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[4-(2-pyridinylthio)butyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(4-pyridin-2-ylsulfanylbutyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[4-(2-pyridylthio)butyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C16H17BrF2NO3PS MolecularWeight: 452.250647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=NC(=C1)SCCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C16H17BrF2NO3PS/c17-14-11-12(7-8-13(14)16(18,19)24(21,22)23)5-2-4-10-25-15-6-1-3-9-20-15/h1,3,6-9,11H,2,4-5,10H2,(H2,21,22,23)