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

Systemtic Name: [[2-bromanyl-4-(cyclopropylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(cyclopropylmethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(cyclopropylmethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(cyclopropylmethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(cyclopropylmethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C12H14BrF2O3PS MolecularWeight: 387.177327

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1CC1CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C12H14BrF2O3PS/c13-11-5-9(7-20-6-8-1-2-8)3-4-10(11)12(14,15)19(16,17)18/h3-5,8H,1-2,6-7H2,(H2,16,17,18)