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

Systemtic Name: [[2-bromanyl-4-(quinolin-3-ylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-quinolylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3-quinolinylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(quinolin-3-ylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(3-quinolylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C17H13BrF2NO3PS MolecularWeight: 460.229587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)SCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)SCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C17H13BrF2NO3PS/c18-15-7-11(5-6-14(15)17(19,20)25(22,23)24)10-26-13-8-12-3-1-2-4-16(12)21-9-13/h1-9H,10H2,(H2,22,23,24)