[[2-bromanyl-4-(quinolin-2-ylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(quinolin-2-ylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(2-quinolylmethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(2-quinolinylmethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(quinolin-2-ylmethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-quinolylmethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C18H15BrF2NO3PS MolecularWeight: 474.256167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C18H15BrF2NO3PS/c19-16-9-12(5-8-15(16)18(20,21)26(23,24)25)10-27-11-14-7-6-13-3-1-2-4-17(13)22-14/h1-9H,10-11H2,(H2,23,24,25)