(2-ethanoyl-5-methoxy-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 2-nitrobenzenesulfonate Openeye Name: (2-acetyl-5-methoxy-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C15H13NO7S MolecularWeight: 351.33122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO7S/c1-10(17)12-8-7-11(22-2)9-14(12)23-24(20,21)15-6-4-3-5-13(15)16(18)19/h3-9H,1-2H3