5-bromanyl-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium tetrafluoroborate

Systemtic Name: 5-bromanyl-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium tetrafluoroborate Openeye Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium tetrafluoroborate CAS Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium tetrafluoroborate IUPAC Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium tetrafluoroborate Traditional Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-anthranil-1-ium tetrafluoroborate Formula: C18H19BBrF4NO MolecularWeight: 432.058173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=[N+](OC(=C2C=C1Br)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=[N+](OC(=C2C=C1Br)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C18H19BrNO.BF4/c1-12-10-16-14(11-15(12)19)17(13-8-6-5-7-9-13)21-20(16)18(2,3)4;2-1(3,4)5/h5-11H,1-4H3;/q+1;-1