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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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