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

Systemtic Name: [[2-bromanyl-4-(cyclohexylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(cyclohexylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(cyclohexylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(cyclohexylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(cyclohexylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C14H18BrF2O3PS MolecularWeight: 415.230487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1CCC(CC1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C14H18BrF2O3PS/c15-13-8-10(9-22-11-4-2-1-3-5-11)6-7-12(13)14(16,17)21(18,19)20/h6-8,11H,1-5,9H2,(H2,18,19,20)