2-methyl-4-methylsulfonyl-5-nitro-benzoyl chloride

Systemtic Name: 2-methyl-4-methylsulfonyl-5-nitro-benzoyl chloride Openeye Name: 2-methyl-4-methylsulfonyl-5-nitro-benzoyl chloride CAS Name: 2-methyl-4-methylsulfonyl-5-nitrobenzoyl chloride IUPAC Name: 2-methyl-4-methylsulfonyl-5-nitrobenzoyl chloride Traditional Name: 4-mesyl-2-methyl-5-nitro-benzoyl chloride Formula: C9H8ClNO5S MolecularWeight: 277.68152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C9H8ClNO5S/c1-5-3-8(17(2,15)16)7(11(13)14)4-6(5)9(10)12/h3-4H,1-2H3