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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

CSC1=CC=C(C=C1)COCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C16H16BrF2O4PS/c1-25-13-5-2-11(3-6-13)9-23-10-12-4-7-14(15(17)8-12)16(18,19)24(20,21)22/h2-8H,9-10H2,1H3,(H2,20,21,22)