3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate

Systemtic Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Openeye Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate CAS Name: 3,5-ditert-butyl-2-(2,6-ditert-butyl-4-pyranylidene)pyrrol-1-ium tetrafluoroborate IUPAC Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Traditional Name: 3,5-ditert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Formula: C25H40BF4NO MolecularWeight: 457.395813

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=[NH+]C1=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=[NH+]C1=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H39NO.BF4/c1-22(2,3)17-15-18(23(4,5)6)26-21(17)16-13-19(24(7,8)9)27-20(14-16)25(10,11)12;2-1(3,4)5/h13-15H,1-12H3;/q;-1/p+1