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

Systemtic Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate Openeye Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate CAS Name: 5-(2,6-ditert-butyl-4-pyranylidene)-2,3-diphenylpyrrol-1-ium tetrafluoroborate IUPAC Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenylpyrrol-1-ium tetrafluoroborate Traditional Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2,3-diphenyl-pyrrol-1-ium tetrafluoroborate Formula: C29H32BF4NO MolecularWeight: 497.375093

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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)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(=[NH+]2)C3=CC=CC=C3)C4=CC=CC=C4)C=C(O1)C(C)(C)C

InChI

InChI=1S/C29H31NO.BF4/c1-28(2,3)25-17-22(18-26(31-25)29(4,5)6)24-19-23(20-13-9-7-10-14-20)27(30-24)21-15-11-8-12-16-21;2-1(3,4)5/h7-19H,1-6H3;/q;-1/p+1