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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1CCC(C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C13H16BrF2O3PS/c14-12-7-9(8-21-10-3-1-2-4-10)5-6-11(12)13(15,16)20(17,18)19/h5-7,10H,1-4,8H2,(H2,17,18,19)