CAS
952-06-7 Purity
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952-06-7 Purity
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Specification
The molecular formula is C8H5ClN2O4S.
The molecular weight is 260.65 g/mol.
The IUPAC name is 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonyl chloride.
The InChI is InChI=1S/C8H5ClN2O4S/c9-16(14,15)4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13).
The InChIKey is VJHXFHCNOUEKQY-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)C(=O)N2.
The CAS number is 952-10-3.
The EC number is 838-189-4.
Yes, it is a canonicalized compound.