3-bromanyl-5-[[3-[(3-bromanyl-5-cyano-2-oxidanyl-phenyl)methyl]-5-fluoranyl-2-oxidanyl-phenyl]methyl]-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-[[3-[(3-bromanyl-5-cyano-2-oxidanyl-phenyl)methyl]-5-fluoranyl-2-oxidanyl-phenyl]methyl]-4-oxidanyl-benzenecarbonitrile Openeye Name: 3-bromo-5-[[3-[(3-bromo-5-cyano-2-hydroxy-phenyl)methyl]-5-fluoro-2-hydroxy-phenyl]methyl]-4-hydroxy-benzonitrile CAS Name: 3-bromo-5-[[3-[(3-bromo-5-cyano-2-hydroxyphenyl)methyl]-5-fluoro-2-hydroxyphenyl]methyl]-4-hydroxybenzonitrile IUPAC Name: 3-bromo-5-[[3-[(3-bromo-5-cyano-2-hydroxyphenyl)methyl]-5-fluoro-2-hydroxyphenyl]methyl]-4-hydroxybenzonitrile Traditional Name: 3-bromo-5-[3-(3-bromo-5-cyano-2-hydroxy-benzyl)-5-fluoro-2-hydroxy-benzyl]-4-hydroxy-benzonitrile Formula: C22H13Br2FN2O3 MolecularWeight: 532.156623

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CC2=CC(=CC(=C2O)CC3=C(C(=CC(=C3)C#N)Br)O)F)O)Br)C#N

Isomeric SMILES

C1=C(C=C(C(=C1CC2=CC(=CC(=C2O)CC3=C(C(=CC(=C3)C#N)Br)O)F)O)Br)C#N

InChI

InChI=1S/C22H13Br2FN2O3/c23-18-3-11(9-26)1-13(21(18)29)5-15-7-17(25)8-16(20(15)28)6-14-2-12(10-27)4-19(24)22(14)30/h1-4,7-8,28-30H,5-6H2