2,6-ditert-butyl-4-[3-methyl-5-(triphenylmethyl)thiophen-2-yl]thiopyrylium tetrafluoroborate

Systemtic Name: 2,6-ditert-butyl-4-[3-methyl-5-(triphenylmethyl)thiophen-2-yl]thiopyrylium tetrafluoroborate Openeye Name: 2,6-ditert-butyl-4-(3-methyl-5-trityl-2-thienyl)thiopyrylium tetrafluoroborate CAS Name: 2,6-ditert-butyl-4-[3-methyl-5-(triphenylmethyl)-2-thiophenyl]thiopyrylium tetrafluoroborate IUPAC Name: 2,6-ditert-butyl-4-(3-methyl-5-tritylthiophen-2-yl)thiopyrylium tetrafluoroborate Traditional Name: 2,6-ditert-butyl-4-(3-methyl-5-trityl-2-thienyl)thiopyrylium tetrafluoroborate Formula: C37H39BF4S2 MolecularWeight: 634.640173

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C(SC(=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=[S+]C(=C5)C(C)(C)C)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C(SC(=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=[S+]C(=C5)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C37H39S2.BF4/c1-26-23-33(39-34(26)27-24-31(35(2,3)4)38-32(25-27)36(5,6)7)37(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30;2-1(3,4)5/h8-25H,1-7H3;/q+1;-1