1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene

Systemtic Name: 1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene Openeye Name: 1-methyl-4-(1-methyl-1-nitro-propyl)sulfonyl-benzene CAS Name: 1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene IUPAC Name: 1-methyl-4-(2-nitrobutan-2-ylsulfonyl)benzene Traditional Name: 1-methyl-4-(1-methyl-1-nitro-propyl)sulfonyl-benzene Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-4-11(3,12(13)14)17(15,16)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3