(4-tert-butyl-3-nitro-phenyl)methyl methanesulfonate

Systemtic Name: (4-tert-butyl-3-nitro-phenyl)methyl methanesulfonate Openeye Name: (4-tert-butyl-3-nitro-phenyl)methyl methanesulfonate CAS Name: methanesulfonic acid (4-tert-butyl-3-nitrophenyl)methyl ester IUPAC Name: (4-tert-butyl-3-nitrophenyl)methyl methanesulfonate Traditional Name: methanesulfonic acid (4-tert-butyl-3-nitro-benzyl) ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-12(2,3)10-6-5-9(7-11(10)13(14)15)8-18-19(4,16)17/h5-7H,8H2,1-4H3