2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate

Systemtic Name: 2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate Openeye Name: 2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate CAS Name: 2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate IUPAC Name: 2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate Traditional Name: 2,4,6-tris(4-tert-butylphenyl)-1,3,5-oxadiazin-1-ium tetrafluoroborate Formula: C33H39BF4N2O MolecularWeight: 566.480173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC=C(C=C1)C2=NC(=[O+]C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC=C(C=C1)C2=NC(=[O+]C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C33H39N2O.BF4/c1-31(2,3)25-16-10-22(11-17-25)28-34-29(23-12-18-26(19-13-23)32(4,5)6)36-30(35-28)24-14-20-27(21-15-24)33(7,8)9;2-1(3,4)5/h10-21H,1-9H3;/q+1;-1