[[2-bromanyl-4-(1-cyclopropyl-1-sulfanyl-ethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(1-cyclopropyl-1-sulfanyl-ethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(1-cyclopropyl-1-sulfanyl-ethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-(1-cyclopropyl-1-mercaptoethyl)phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(1-cyclopropyl-1-sulfanylethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-(1-cyclopropyl-1-mercapto-ethyl)phenyl]-difluoro-methyl]phosphonic acid Formula: C12H14BrF2O3PS MolecularWeight: 387.177327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br)S

Isomeric SMILES

CC(C1CC1)(C2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br)S

InChI

InChI=1S/C12H14BrF2O3PS/c1-11(20,7-2-3-7)8-4-5-9(10(13)6-8)12(14,15)19(16,17)18/h4-7,20H,2-3H2,1H3,(H2,16,17,18)