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

Systemtic Name: 1-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate Openeye Name: 1-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate CAS Name: 1-tert-butyl-5-(2,6-ditert-butyl-4-pyranylidene)-2,3-diphenylpyrrol-1-ium tetrafluoroborate IUPAC Name: 1-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenylpyrrol-1-ium tetrafluoroborate Traditional Name: 1-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate Formula: C33H40BF4NO MolecularWeight: 553.481413

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C(C(=[N+]2C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C=C(O1)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C(C(=[N+]2C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C=C(O1)C(C)(C)C

InChI

InChI=1S/C33H40NO.BF4/c1-31(2,3)28-20-25(21-29(35-28)32(4,5)6)27-22-26(23-16-12-10-13-17-23)30(34(27)33(7,8)9)24-18-14-11-15-19-24;2-1(3,4)5/h10-22H,1-9H3;/q+1;-1