(3-ethoxy-5-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6S/c1-4-22-14-7-11(2)8-15(10-14)23-24(20,21)16-9-13(17(18)19)6-5-12(16)3/h5-10H,4H2,1-3H3