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

Systemtic Name: [[2-bromanyl-4-(phenacylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(phenacylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(phenacylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(phenacylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(phenacylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C16H14BrF2O4PS MolecularWeight: 451.219527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C16H14BrF2O4PS/c17-14-8-11(6-7-13(14)16(18,19)24(21,22)23)9-25-10-15(20)12-4-2-1-3-5-12/h1-8H,9-10H2,(H2,21,22,23)