2-methylsulfonyl-1,3,5-trinitro-benzene

Systemtic Name: 2-methylsulfonyl-1,3,5-trinitro-benzene Openeye Name: 2-methylsulfonyl-1,3,5-trinitro-benzene CAS Name: 2-methylsulfonyl-1,3,5-trinitrobenzene IUPAC Name: 2-methylsulfonyl-1,3,5-trinitrobenzene Traditional Name: 2-mesyl-1,3,5-trinitro-benzene Formula: C7H5N3O8S MolecularWeight: 291.1949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O8S/c1-19(17,18)7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3