(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) methanesulfonate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) methanesulfonate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O7S/c1-7-9(13(15)16)6-8(12(2,3)4)11(10(7)14(17)18)21-22(5,19)20/h6H,1-5H3