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

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrol-1-ium ditetrafluoroborate Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrol-1-ium ditetrafluoroborate CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-4-(2,6-ditert-butyl-4-pyryliumyl)pyrrol-1-ium ditetrafluoroborate IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrol-1-ium ditetrafluoroborate Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrol-1-ium ditetrafluoroborate Formula: C30H43B2F8NO2 MolecularWeight: 623.277146

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

InChI

InChI=1S/C30H42NO2.2BF4/c1-27(2,3)23-14-19(15-24(32-23)28(4,5)6)21-13-22(31-18-21)20-16-25(29(7,8)9)33-26(17-20)30(10,11)12;2*2-1(3,4)5/h13-18H,1-12H3;;/q+1;2*-1/p+1