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

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H13NO7S2 MolecularWeight: 371.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO7S2/c1-10-3-8-14(13(9-10)15(16)17)22-24(20,21)12-6-4-11(5-7-12)23(2,18)19/h3-9H,1-2H3