(2-ethanoyl-3,5-dimethoxy-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-ethanoyl-3,5-dimethoxy-phenyl) 4-nitrobenzenesulfonate Openeye Name: (2-acetyl-3,5-dimethoxy-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-acetyl-3,5-dimethoxyphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethoxyphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-acetyl-3,5-dimethoxy-phenyl) ester Formula: C16H15NO8S MolecularWeight: 381.3572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)OC

InChI

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