2-chloranyl-1-methyl-5-methylsulfonyl-3-nitro-benzene

Systemtic Name: 2-chloranyl-1-methyl-5-methylsulfonyl-3-nitro-benzene Openeye Name: 2-chloro-1-methyl-5-methylsulfonyl-3-nitro-benzene CAS Name: 2-chloro-1-methyl-5-methylsulfonyl-3-nitrobenzene IUPAC Name: 2-chloro-1-methyl-5-methylsulfonyl-3-nitrobenzene Traditional Name: 2-chloro-5-mesyl-1-methyl-3-nitro-benzene Formula: C8H8ClNO4S MolecularWeight: 249.67142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C8H8ClNO4S/c1-5-3-6(15(2,13)14)4-7(8(5)9)10(11)12/h3-4H,1-2H3