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1,1,2-tris(5-fluoranyl-2-methyl-phenyl)hexoxyboronic acid

1,1,2-tris(5-fluoranyl-2-methyl-phenyl)hexoxyboronic acid

Systemtic Name:1,1,2-tris(5-fluoranyl-2-methyl-phenyl)hexoxyboronic acid
Openeye Name:1,1,2-tris(5-fluoro-2-methyl-phenyl)hexoxyboronic acid
CAS Name:1,1,2-tris(5-fluoro-2-methylphenyl)hexoxyboronic acid
IUPAC Name:1,1,2-tris(5-fluoro-2-methylphenyl)hexoxyboronic acid
Traditional Name:1,1,2-tris(5-fluoro-2-methyl-phenyl)hexoxyboronic acid
Formula: C27H30BF3O3
MolecularWeight: 470.33151
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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)OC(C1=C(C=CC(=C1)F)C)(C2=C(C=CC(=C2)F)C)C(CCCC)C3=C(C=CC(=C3)F)C


Isomeric SMILES

B(O)(O)OC(C1=C(C=CC(=C1)F)C)(C2=C(C=CC(=C2)F)C)C(CCCC)C3=C(C=CC(=C3)F)C


InChI

InChI=1S/C27H30BF3O3/c1-5-6-7-24(23-14-20(29)11-8-17(23)2)27(34-28(32)33,25-15-21(30)12-9-18(25)3)26-16-22(31)13-10-19(26)4/h8-16,24,32-33H,5-7H2,1-4H3


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