[[2-bromanyl-4-(7-oxidanylheptylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(7-oxidanylheptylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(7-hydroxyheptylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(7-hydroxyheptylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(7-hydroxyheptylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(7-hydroxyheptylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H22BrF2O4PS MolecularWeight: 447.272347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCCCCCCO)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1CSCCCCCCCO)Br)C(F)(F)P(=O)(O)O

InChI

InChI=1S/C15H22BrF2O4PS/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/h6-7,10,19H,1-5,8-9,11H2,(H2,20,21,22)