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

Systemtic Name: 2,4-ditert-butyl-5-deuterio-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Openeye Name: 2,4-ditert-butyl-5-deuterio-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate CAS Name: 2,4-ditert-butyl-5-deuterio-3-(2,6-ditert-butyl-4-pyranylidene)pyrrol-1-ium tetrafluoroborate IUPAC Name: 2,4-ditert-butyl-5-deuterio-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Traditional Name: 2,4-ditert-butyl-5-deuterio-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Formula: C25H40BF4NO MolecularWeight: 458.401975

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C(=C[NH+]=C2C(C)(C)C)C(C)(C)C)C=C(O1)C(C)(C)C

Isomeric SMILES

[2H]C1=C(C(=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)C(=[NH+]1)C(C)(C)C)C(C)(C)C.[B-](F)(F)(F)F

InChI

InChI=1S/C25H39NO.BF4/c1-22(2,3)17-15-26-21(25(10,11)12)20(17)16-13-18(23(4,5)6)27-19(14-16)24(7,8)9;2-1(3,4)5/h13-15H,1-12H3;/q;-1/p+1/i15D;