tris[3,5-bis(trifluoromethyl)phenyl]-butyl-boranuide

Systemtic Name: tris[3,5-bis(trifluoromethyl)phenyl]-butyl-boranuide Openeye Name: tris[3,5-bis(trifluoromethyl)phenyl]-butyl-boranuide CAS Name: tris[3,5-bis(trifluoromethyl)phenyl]-butylboranuide IUPAC Name: tris[3,5-bis(trifluoromethyl)phenyl]-butylboranuide Traditional Name: tris[3,5-bis(trifluoromethyl)phenyl]-butyl-boranuide Formula: C28H18BF18- MolecularWeight: 707.224778

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCC)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

[B-](CCCC)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H18BF18/c1-2-3-4-29(20-8-14(23(30,31)32)5-15(9-20)24(33,34)35,21-10-16(25(36,37)38)6-17(11-21)26(39,40)41)22-12-18(27(42,43)44)7-19(13-22)28(45,46)47/h5-13H,2-4H2,1H3/q-1