(2-methyl-2-nitro-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-nitro-propyl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-2-nitro-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-2-nitropropyl) ester IUPAC Name: (2-methyl-2-nitropropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-2-nitro-propyl) ester Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO5S/c1-9-4-6-10(7-5-9)18(15,16)17-8-11(2,3)12(13)14/h4-7H,8H2,1-3H3