2-methoxy-5-methylsulfonyl-1,3-dinitro-benzene

Systemtic Name: 2-methoxy-5-methylsulfonyl-1,3-dinitro-benzene Openeye Name: 2-methoxy-5-methylsulfonyl-1,3-dinitro-benzene CAS Name: 2-methoxy-5-methylsulfonyl-1,3-dinitrobenzene IUPAC Name: 2-methoxy-5-methylsulfonyl-1,3-dinitrobenzene Traditional Name: 5-mesyl-2-methoxy-1,3-dinitro-benzene Formula: C8H8N2O7S MolecularWeight: 276.22332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O7S/c1-17-8-6(9(11)12)3-5(18(2,15)16)4-7(8)10(13)14/h3-4H,1-2H3