(4-methyl-2-nitro-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7S/c1-9-3-6-13(12(7-9)16(19)20)23-24(21,22)14-8-11(15(17)18)5-4-10(14)2/h3-8H,1-2H3