[2-methylsulfonyloxy-3-nitro-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [2-methylsulfonyloxy-3-nitro-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] methanesulfonate Openeye Name: [2-methylsulfonyloxy-3-nitro-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methylsulfonyloxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [2-methylsulfonyloxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[(E)-3-keto-3-phenyl-prop-1-enyl]-2-methylsulfonyloxy-3-nitro-phenyl] ester Formula: C17H15NO9S2 MolecularWeight: 441.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO9S2/c1-28(22,23)26-16-11-12(8-9-15(19)13-6-4-3-5-7-13)10-14(18(20)21)17(16)27-29(2,24)25/h3-11H,1-2H3/b9-8+