2-tert-butyl-1-methylsulfonyl-4-nitro-benzene

Systemtic Name: 2-tert-butyl-1-methylsulfonyl-4-nitro-benzene Openeye Name: 2-tert-butyl-1-methylsulfonyl-4-nitro-benzene CAS Name: 2-tert-butyl-1-methylsulfonyl-4-nitrobenzene IUPAC Name: 2-tert-butyl-1-methylsulfonyl-4-nitrobenzene Traditional Name: 2-tert-butyl-1-mesyl-4-nitro-benzene Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-11(2,3)9-7-8(12(13)14)5-6-10(9)17(4,15)16/h5-7H,1-4H3