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

Systemtic Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate Openeye Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium tetrafluoroborate CAS Name: 1-tert-butyl-2-(2,6-ditert-butyl-4-pyranylidene)-4-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate IUPAC Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-tritylpyrrol-1-ium tetrafluoroborate Traditional Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium tetrafluoroborate Formula: C40H46BF4NO MolecularWeight: 643.603953

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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)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)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)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(O1)C(C)(C)C

InChI

InChI=1S/C40H46NO.BF4/c1-37(2,3)35-25-29(26-36(42-35)38(4,5)6)34-27-33(28-41(34)39(7,8)9)40(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;2-1(3,4)5/h10-28H,1-9H3;/q+1;-1