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

Systemtic Name: [[2-bromanyl-4-(hexylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(hexylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(hexylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(hexylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(hexylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C14H20BrF2O3PS MolecularWeight: 417.246367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

CCCCCCSCC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C14H20BrF2O3PS/c1-2-3-4-5-8-22-10-11-6-7-12(13(15)9-11)14(16,17)21(18,19)20/h6-7,9H,2-5,8,10H2,1H3,(H2,18,19,20)