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

Systemtic Name: 2-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-3-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate Openeye Name: 2-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-3-trityl-pyrrol-1-ium tetrafluoroborate CAS Name: 2-tert-butyl-5-(2,6-ditert-butyl-4-pyranylidene)-3-(triphenylmethyl)pyrrol-1-ium tetrafluoroborate IUPAC Name: 2-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-3-tritylpyrrol-1-ium tetrafluoroborate Traditional Name: 2-tert-butyl-5-(2,6-ditert-butylpyran-4-ylidene)-3-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(=[NH+]2)C(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(=[NH+]2)C(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/C40H45NO.BF4/c1-37(2,3)34-25-28(26-35(42-34)38(4,5)6)33-27-32(36(41-33)39(7,8)9)40(29-19-13-10-14-20-29,30-21-15-11-16-22-30)31-23-17-12-18-24-31;2-1(3,4)5/h10-27H,1-9H3;/q;-1/p+1