(2-oxidanylidenecyclohexyl) 2,4-dinitrobenzenesulfonate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2,4-dinitrobenzenesulfonate Openeye Name: (2-oxocyclohexyl) 2,4-dinitrobenzenesulfonate CAS Name: 2,4-dinitrobenzenesulfonic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2,4-dinitrobenzenesulfonate Traditional Name: 2,4-dinitrobenzenesulfonic acid (2-ketocyclohexyl) ester Formula: C12H12N2O8S MolecularWeight: 344.29728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O8S/c15-10-3-1-2-4-11(10)22-23(20,21)12-6-5-8(13(16)17)7-9(12)14(18)19/h5-7,11H,1-4H2