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The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso

Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

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Chemical structure C<sub>14</sub>H<sub>10</sub>N<sub>2</sub>O<sub>6</sub>S<sub>2</sub>

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Extracted from

Scheme 42

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₀N₂O₆S₂
Molecular Weight	366.37 g/mol
Exact Mass	365.9980 Da
InChI	InChI=1S/C14H10N2O6S2/c17-16-14(24(20,21)12-9-5-2-6-10-12)13(15-22-16)23(18,19)11-7-3-1-4-8-11/h1-10H
InChIKey	PLIHJANRRMFJCC-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)S(=O)(=O)C2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-]
Number of Atoms	34
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	24
XLogP	1.9

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