(4-methyl-2-nitro-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-nitrobenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H10N2O7S MolecularWeight: 338.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O7S/c1-9-2-7-13(12(8-9)15(18)19)22-23(20,21)11-5-3-10(4-6-11)14(16)17/h2-8H,1H3