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

Systemtic Name: [[2-bromanyl-4-[[1-(2-methoxy-2-oxidanylidene-ethyl)cyclopropyl]methylsulfanylmethyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[[1-(2-methoxy-2-oxo-ethyl)cyclopropyl]methylsulfanylmethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylthio]methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[[[1-(2-keto-2-methoxy-ethyl)cyclopropyl]methylthio]methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H18BrF2O5PS MolecularWeight: 459.239987

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC1)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

COC(=O)CC1(CC1)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C15H18BrF2O5PS/c1-23-13(19)7-14(4-5-14)9-25-8-10-2-3-11(12(16)6-10)15(17,18)24(20,21)22/h2-3,6H,4-5,7-9H2,1H3,(H2,20,21,22)