[[2-bromanyl-4-(1-phenylpropan-2-ylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(1-phenylpropan-2-ylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[(1-methyl-2-phenyl-ethyl)sulfanylmethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(1-phenylpropan-2-ylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(1-phenylpropan-2-ylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[[(1-methyl-2-phenyl-ethyl)thio]methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C17H18BrF2O3PS MolecularWeight: 451.262587

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

CC(CC1=CC=CC=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C17H18BrF2O3PS/c1-12(9-13-5-3-2-4-6-13)25-11-14-7-8-15(16(18)10-14)17(19,20)24(21,22)23/h2-8,10,12H,9,11H2,1H3,(H2,21,22,23)