[[2-bromanyl-4-(3-oxidanylidene-2-phenyl-butyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-oxidanylidene-2-phenyl-butyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-oxo-2-phenyl-butyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-(3-oxo-2-phenylbutyl)phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-oxo-2-phenylbutyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-(3-keto-2-phenyl-butyl)phenyl]-difluoro-methyl]phosphonic acid Formula: C17H16BrF2O4P MolecularWeight: 433.181107

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)C2=CC=CC=C2

InChI

InChI=1S/C17H16BrF2O4P/c1-11(21)14(13-5-3-2-4-6-13)9-12-7-8-15(16(18)10-12)17(19,20)25(22,23)24/h2-8,10,14H,9H2,1H3,(H2,22,23,24)