[[2-bromanyl-4-(3-methylbut-2-enylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-methylbut-2-enylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-methylbut-2-enylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3-methylbut-2-enylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-methylbut-2-enylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(3-methylbut-2-enylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C13H16BrF2O3PS MolecularWeight: 401.203907

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)C

Isomeric SMILES

CC(=CCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)C

InChI

InChI=1S/C13H16BrF2O3PS/c1-9(2)5-6-21-8-10-3-4-11(12(14)7-10)13(15,16)20(17,18)19/h3-5,7H,6,8H2,1-2H3,(H2,17,18,19)