[[2-bromanyl-4-(6-cyanohexylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(6-cyanohexylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(6-cyanohexylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(6-cyanohexylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(6-cyanohexylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(6-cyanohexylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H19BrF2NO3PS MolecularWeight: 442.255827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCCCCCC#N)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1CSCCCCCCC#N)Br)C(F)(F)P(=O)(O)O

InChI

InChI=1S/C15H19BrF2NO3PS/c16-14-10-12(11-24-9-5-3-1-2-4-8-19)6-7-13(14)15(17,18)23(20,21)22/h6-7,10H,1-5,9,11H2,(H2,20,21,22)