2-[[4-[bis(fluoranyl)-phosphonato-methyl]-3-bromanyl-phenyl]methylsulfanyl]ethanol

Systemtic Name: 2-[[4-[bis(fluoranyl)-phosphonato-methyl]-3-bromanyl-phenyl]methylsulfanyl]ethanol Openeye Name: 2-[[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]methylsulfanyl]ethanol CAS Name: 2-[[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]methylthio]ethanol IUPAC Name: 2-[[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]methylsulfanyl]ethanol Traditional Name: 2-[[3-bromo-4-[difluoro(phosphonato)methyl]benzyl]thio]ethanol Formula: C10H10BrF2O4PS-2 MolecularWeight: 375.123567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCO)Br)C(F)(F)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1CSCCO)Br)C(F)(F)P(=O)([O-])[O-]

InChI

InChI=1S/C10H12BrF2O4PS/c11-9-5-7(6-19-4-3-14)1-2-8(9)10(12,13)18(15,16)17/h1-2,5,14H,3-4,6H2,(H2,15,16,17)/p-2