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

Systemtic Name: [[2-bromanyl-4-(1-phenylethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(1-phenylethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(1-phenylethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(1-phenylethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(1-phenylethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C16H16BrF2O3PS MolecularWeight: 437.236007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrF2O3PS/c1-11(13-5-3-2-4-6-13)24-10-12-7-8-14(15(17)9-12)16(18,19)23(20,21)22/h2-9,11H,10H2,1H3,(H2,20,21,22)