2,6-ditert-butyl-4-[5-(2,6-ditert-butylthiopyran-4-ylidene)thiophen-1-ium-2-yl]thiopyrylium ditetrafluoroborate

Systemtic Name: 2,6-ditert-butyl-4-[5-(2,6-ditert-butylthiopyran-4-ylidene)thiophen-1-ium-2-yl]thiopyrylium ditetrafluoroborate Openeye Name: 2,6-ditert-butyl-4-[5-(2,6-ditert-butylthiopyran-4-ylidene)thiophen-1-ium-2-yl]thiopyrylium ditetrafluoroborate CAS Name: 2,6-ditert-butyl-4-[5-(2,6-ditert-butyl-4-thiopyranylidene)-2-thiophen-1-iumyl]thiopyrylium ditetrafluoroborate IUPAC Name: 2,6-ditert-butyl-4-[5-(2,6-ditert-butylthiopyran-4-ylidene)thiophen-1-ium-2-yl]thiopyrylium ditetrafluoroborate Traditional Name: 2,6-ditert-butyl-4-[5-(2,6-ditert-butylthiopyran-4-ylidene)thiophen-1-ium-2-yl]thiopyrylium ditetrafluoroborate Formula: C30H42B2F8S3 MolecularWeight: 672.458706

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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=CC(=[S+]2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=CC(=[S+]2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

InChI

InChI=1S/C30H42S3.2BF4/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/h13-18H,1-12H3;;/q+2;2*-1