(3,5-dimethylphenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (3,5-dimethylphenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-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=C(C=CC(=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

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

InChI

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