2,5-bis(2,6-ditert-butylthiopyrylium-4-yl)pyrrolidine ditetrafluoroborate

Systemtic Name: 2,5-bis(2,6-ditert-butylthiopyrylium-4-yl)pyrrolidine ditetrafluoroborate Openeye Name: 2,5-bis(2,6-ditert-butylthiopyrylium-4-yl)pyrrolidine ditetrafluoroborate CAS Name: 2,5-bis(2,6-ditert-butyl-4-thiopyryliumyl)pyrrolidine ditetrafluoroborate IUPAC Name: 2,5-bis(2,6-ditert-butylthiopyrylium-4-yl)pyrrolidine ditetrafluoroborate Traditional Name: 2,5-bis(2,6-ditert-butylthiopyrylium-4-yl)pyrrolidine ditetrafluoroborate Formula: C30H47B2F8NS2 MolecularWeight: 659.440106

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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(=CC(=[S+]1)C(C)(C)C)C2CCC(N2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2CCC(N2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C30H47NS2.2BF4/c1-27(2,3)23-15-19(16-24(32-23)28(4,5)6)21-13-14-22(31-21)20-17-25(29(7,8)9)33-26(18-20)30(10,11)12;2*2-1(3,4)5/h15-18,21-22,31H,13-14H2,1-12H3;;/q+2;2*-1