[[2-bromanyl-4-(3-quinolin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-quinolin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[3-(2-quinolylsulfanyl)propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[3-(2-quinolinylthio)propyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-quinolin-2-ylsulfanylpropyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[3-(2-quinolylthio)propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C19H17BrF2NO3PS MolecularWeight: 488.282747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCCCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCCCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C19H17BrF2NO3PS/c20-16-12-13(7-9-15(16)19(21,22)27(24,25)26)4-3-11-28-18-10-8-14-5-1-2-6-17(14)23-18/h1-2,5-10,12H,3-4,11H2,(H2,24,25,26)