(2,3,5-trimethylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (2,3,5-trimethylphenyl) 3-nitrobenzenesulfonate Openeye Name: (2,3,5-trimethylphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2,3,5-trimethylphenyl) ester IUPAC Name: (2,3,5-trimethylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2,3,5-trimethylphenyl) ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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