(3-propan-2-ylphenyl) 2-nitrobenzenesulfonate

Systemtic Name: (3-propan-2-ylphenyl) 2-nitrobenzenesulfonate Openeye Name: (3-isopropylphenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid m-cumenyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H15NO5S/c1-11(2)12-6-5-7-13(10-12)21-22(19,20)15-9-4-3-8-14(15)16(17)18/h3-11H,1-2H3