(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: (2-tert-butyl-4,6-dinitrophenyl)methanesulfonate IUPAC Name: (2-tert-butyl-4,6-dinitrophenyl)methanesulfonate Traditional Name: (2-tert-butyl-4,6-dinitro-phenyl)methanesulfonate Formula: C11H13N2O7S- MolecularWeight: 317.29512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1CS(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1CS(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-11(2,3)9-4-7(12(14)15)5-10(13(16)17)8(9)6-21(18,19)20/h4-5H,6H2,1-3H3,(H,18,19,20)/p-1