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

Systemtic Name: [[2-bromanyl-4-(3-phenylpropylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-phenylpropylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3-phenylpropylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-phenylpropylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(3-phenylpropylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C17H18BrF2O3PS MolecularWeight: 451.262587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C17H18BrF2O3PS/c18-16-11-14(8-9-15(16)17(19,20)24(21,22)23)12-25-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,21,22,23)