[[2-bromanyl-4-(3-phenoxypropylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-phenoxypropylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-phenoxypropylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3-phenoxypropylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-phenoxypropylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(3-phenoxypropylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C17H18BrF2O4PS MolecularWeight: 467.261987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)OCCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C17H18BrF2O4PS/c18-16-11-13(7-8-15(16)17(19,20)25(21,22)23)12-26-10-4-9-24-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H2,21,22,23)