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

Systemtic Name: [[2-bromanyl-4-(2-phenoxyethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(2-phenoxyethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(2-phenoxyethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(2-phenoxyethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-phenoxyethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C16H16BrF2O4PS MolecularWeight: 453.235407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C16H16BrF2O4PS/c17-15-10-12(6-7-14(15)16(18,19)24(20,21)22)11-25-9-8-23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,20,21,22)