(2-ethanoyl-5-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-acetyl-5-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=CC(=C2)OC)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=CC(=C2)OC)C(=O)C

InChI

InChI=1S/C16H15NO7S/c1-10-4-5-12(17(19)20)8-16(10)25(21,22)24-15-9-13(23-3)6-7-14(15)11(2)18/h4-9H,1-3H3