[4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 4-nitrobenzenesulfonate Openeye Name: [4-(4-nitrophenyl)-2-oxo-chromen-7-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(4-nitrophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-nitrophenyl)-2-oxochromen-7-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-keto-4-(4-nitrophenyl)chromen-7-yl] ester Formula: C21H12N2O9S MolecularWeight: 468.39298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O9S/c24-21-12-19(13-1-3-14(4-2-13)22(25)26)18-10-7-16(11-20(18)31-21)32-33(29,30)17-8-5-15(6-9-17)23(27)28/h1-12H