(3-ethoxy-5-methyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H15NO6S/c1-3-21-12-8-11(2)9-13(10-12)22-23(19,20)15-7-5-4-6-14(15)16(17)18/h4-10H,3H2,1-2H3