2,4-dimethyl-1-methylsulfonyl-3,5-dinitro-benzene

Systemtic Name: 2,4-dimethyl-1-methylsulfonyl-3,5-dinitro-benzene Openeye Name: 2,4-dimethyl-1-methylsulfonyl-3,5-dinitro-benzene CAS Name: 2,4-dimethyl-1-methylsulfonyl-3,5-dinitrobenzene IUPAC Name: 2,4-dimethyl-1-methylsulfonyl-3,5-dinitrobenzene Traditional Name: 1-mesyl-2,4-dimethyl-3,5-dinitro-benzene Formula: C9H10N2O6S MolecularWeight: 274.2505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6S/c1-5-7(10(12)13)4-8(18(3,16)17)6(2)9(5)11(14)15/h4H,1-3H3