(2-ethanoyl-5-methoxy-phenyl) 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 4-methoxy-3-nitro-benzenesulfonate Openeye Name: (2-acetyl-5-methoxy-phenyl) 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C16H15NO8S MolecularWeight: 381.3572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO8S/c1-10(18)13-6-4-11(23-2)8-16(13)25-26(21,22)12-5-7-15(24-3)14(9-12)17(19)20/h4-9H,1-3H3