4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate

Systemtic Name: 4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate Openeye Name: 4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate CAS Name: 4-(2,6-ditert-butyl-4-pyryliumyl)benzoic acid tetrafluoroborate IUPAC Name: 4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate Traditional Name: 4-(2,6-ditert-butylpyrylium-4-yl)benzoic acid tetrafluoroborate Formula: C20H25BF4O3 MolecularWeight: 400.215313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H24O3.BF4/c1-19(2,3)16-11-15(12-17(23-16)20(4,5)6)13-7-9-14(10-8-13)18(21)22;2-1(3,4)5/h7-12H,1-6H3;/q;-1/p+1