(3,5-dimethylphenyl) 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 4-methoxy-3-nitro-benzenesulfonate Openeye Name: (3,5-dimethylphenyl) 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6S/c1-10-6-11(2)8-12(7-10)22-23(19,20)13-4-5-15(21-3)14(9-13)16(17)18/h4-9H,1-3H3