[[2-bromanyl-4-(naphthalen-2-ylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(naphthalen-2-ylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(2-naphthylmethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(2-naphthalenylmethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(naphthalen-2-ylmethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-naphthylmethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C19H16BrF2O3PS MolecularWeight: 473.268107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C19H16BrF2O3PS/c20-18-10-14(6-8-17(18)19(21,22)26(23,24)25)12-27-11-13-5-7-15-3-1-2-4-16(15)9-13/h1-10H,11-12H2,(H2,23,24,25)