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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure [C<sub>7</sub>H<sub>7</sub>O<sub>3</sub>S]<sup>-</sup>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₇H₇O₃S]^-
Molecular Weight	171.20 g/mol
Exact Mass	171.0116 Da
InChI	InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey	JOXIMZWYDAKGHI-UHFFFAOYSA-M
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-]
Number of Atoms	18
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	0.0

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