(2-tert-butyl-4,6-dinitro-phenyl) methanesulfonate

Systemtic Name: (2-tert-butyl-4,6-dinitro-phenyl) methanesulfonate Openeye Name: (2-tert-butyl-4,6-dinitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (2-tert-butyl-4,6-dinitrophenyl) ester IUPAC Name: (2-tert-butyl-4,6-dinitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (2-tert-butyl-4,6-dinitro-phenyl) ester Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-11(2,3)8-5-7(12(14)15)6-9(13(16)17)10(8)20-21(4,18)19/h5-6H,1-4H3