(4-methylsulfonylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (4-methylsulfonylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (4-methylsulfonylphenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (4-mesylphenyl) ester Formula: C15H15NO7S2 MolecularWeight: 385.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15NO7S2/c1-10-8-12(16(17)18)9-15(11(10)2)25(21,22)23-13-4-6-14(7-5-13)24(3,19)20/h4-9H,1-3H3