methanesulfonate; 3-methyl-4-nitro-benzoate

Systemtic Name: methanesulfonate; 3-methyl-4-nitro-benzoate Openeye Name: methanesulfonate; 3-methyl-4-nitro-benzoate CAS Name: methanesulfonate; 3-methyl-4-nitrobenzoate IUPAC Name: methanesulfonate; 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoate mesylate Formula: C9H9NO7S-2 MolecularWeight: 275.23526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C8H7NO4.CH4O3S/c1-5-4-6(8(10)11)2-3-7(5)9(12)13;1-5(2,3)4/h2-4H,1H3,(H,10,11);1H3,(H,2,3,4)/p-2