CAS
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Specification
The molecular formula is C6H3Cl2NO4S.
The molecular weight is 256.06 g/mol.
The IUPAC name is 3-chloro-4-nitrobenzenesulfonyl chloride.
The InChI is InChI=1S/C6H3Cl2NO4S/c7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-3H.
The InChIKey is BYKPVHSGMXQEEY-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)[N+](=O)[O-].
The CAS number is 64835-30-9.
The European Community (EC) number is 642-518-5.
Yes, it is a canonicalized compound according to PubChem.