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

Systemtic Name: [[2-bromanyl-4-(2-dimethylaminoethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(2-dimethylaminoethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(2-dimethylaminoethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(2-dimethylaminoethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-dimethylaminoethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C12H17BrF2NO3PS MolecularWeight: 404.207847

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

CN(C)CCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C12H17BrF2NO3PS/c1-16(2)5-6-21-8-9-3-4-10(11(13)7-9)12(14,15)20(17,18)19/h3-4,7H,5-6,8H2,1-2H3,(H2,17,18,19)