2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)-1-methyl-pyrrol-1-ium ditetrafluoroborate

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)-1-methyl-pyrrol-1-ium ditetrafluoroborate Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)-1-methyl-pyrrol-1-ium ditetrafluoroborate CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-4-(2,6-ditert-butyl-4-pyryliumyl)-1-methylpyrrol-1-ium ditetrafluoroborate IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)-1-methylpyrrol-1-ium ditetrafluoroborate Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)-1-methyl-pyrrol-1-ium ditetrafluoroborate Formula: C31H45B2F8NO2 MolecularWeight: 637.303726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO2.2BF4/c1-28(2,3)24-15-20(16-25(33-24)29(4,5)6)22-14-23(32(13)19-22)21-17-26(30(7,8)9)34-27(18-21)31(10,11)12;2*2-1(3,4)5/h14-19H,1-13H3;;/q+2;2*-1