97404-10-9 Purity
96%
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Specification
The IUPAC name of the compound is 9,10,10-trioxothioxanthene-3-carbonyl chloride.
The molecular formula of the compound is C14H7ClO4S.
The molecular weight of the compound is 306.7 g/mol.
The InChI of the compound is InChI=1S/C14H7ClO4S/c15-14(17)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)13(10)16/h1-7H.
The InChIKey of the compound is FSGCGIQIMWKLGJ-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)Cl.
The CAS number of the compound is 97404-16-5.
The European Community (EC) number of the compound is 306-779-6.
The UNII of the compound is A2DT9V5X3R.