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Updated: Jun 1, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
4-Methyl-2-oxo-2,3-dihydro-1-benzopyran-7-yl benzene-sulfonate
Abstract:
The title compound, C(16)H(12)O(5)S, is a derivative of coumarin. The dihedral angle between the coumarin ring system and the phenyl ring is 65.9 (1)°. In the crystal structure, mol-ecules are linked by weak C-H⋯O hydrogen bonding to form molecular ribbons.
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