4-[4-[bis(fluoranyl)-phosphonato-methyl]-3-bromanyl-phenyl]-3-phenyl-butan-2-one

Systemtic Name: 4-[4-[bis(fluoranyl)-phosphonato-methyl]-3-bromanyl-phenyl]-3-phenyl-butan-2-one Openeye Name: 4-[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]-3-phenyl-butan-2-one CAS Name: 4-[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]-3-phenyl-2-butanone IUPAC Name: 4-[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]-3-phenylbutan-2-one Traditional Name: 4-[3-bromo-4-[difluoro(phosphonato)methyl]phenyl]-3-phenyl-butan-2-one Formula: C17H14BrF2O4P-2 MolecularWeight: 431.165227

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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)/p-2