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

Systemtic Name: [[2-bromanyl-4-(4-phenylbutan-2-ylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[(1-methyl-3-phenyl-propyl)sulfanylmethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(4-phenylbutan-2-ylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(4-phenylbutan-2-ylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[[(1-methyl-3-phenyl-propyl)thio]methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C18H20BrF2O3PS MolecularWeight: 465.289167

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

CC(CCC1=CC=CC=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C18H20BrF2O3PS/c1-13(7-8-14-5-3-2-4-6-14)26-12-15-9-10-16(17(19)11-15)18(20,21)25(22,23)24/h2-6,9-11,13H,7-8,12H2,1H3,(H2,22,23,24)