(2,5-dimethylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-nitrobenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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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-]

Isomeric SMILES

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

InChI

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