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

Systemtic Name: 2-tert-butyl-3-deuterio-5-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Openeye Name: 2-tert-butyl-3-deuterio-5-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate CAS Name: 2-tert-butyl-3-deuterio-5-(2,6-ditert-butyl-4-pyranylidene)pyrrol-1-ium tetrafluoroborate IUPAC Name: 2-tert-butyl-3-deuterio-5-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Traditional Name: 2-tert-butyl-3-deuterio-5-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Formula: C21H32BF4NO MolecularWeight: 402.295655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=CC(=C2C=C(OC(=C2)C(C)(C)C)C(C)(C)C)[NH+]=C1C(C)(C)C.[B-](F)(F)(F)F

InChI

InChI=1S/C21H31NO.BF4/c1-19(2,3)16-11-10-15(22-16)14-12-17(20(4,5)6)23-18(13-14)21(7,8)9;2-1(3,4)5/h10-13H,1-9H3;/q;-1/p+1/i11D;