(3,5-dimethylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 3-nitrobenzenesulfonate Openeye Name: (3,5-dimethylphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5S/c1-10-6-11(2)8-13(7-10)20-21(18,19)14-5-3-4-12(9-14)15(16)17/h3-9H,1-2H3