(2,4,6-trimethylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 4-nitrobenzenesulfonate Openeye Name: (2,4,6-trimethylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid mesityl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15NO5S/c1-10-8-11(2)15(12(3)9-10)21-22(19,20)14-6-4-13(5-7-14)16(17)18/h4-9H,1-3H3