2-methyl-4-methylsulfonyl-1-nitro-benzene

Systemtic Name: 2-methyl-4-methylsulfonyl-1-nitro-benzene Openeye Name: 2-methyl-4-methylsulfonyl-1-nitro-benzene CAS Name: 2-methyl-4-methylsulfonyl-1-nitrobenzene IUPAC Name: 2-methyl-4-methylsulfonyl-1-nitrobenzene Traditional Name: 4-mesyl-2-methyl-1-nitro-benzene Formula: C8H9NO4S MolecularWeight: 215.22636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3