4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-4-nitro-pyrazol-2-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-4-nitro-pyrazol-2-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-4-nitro-pyrazol-2-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-4-nitropyrazol-2-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-4-nitropyrazol-2-ium Traditional Name: 1,2,3,5-tetramethyl-4-nitro-pyrazol-2-ium tosylate Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=[N+](N1C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=[N+](N1C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C7H12N3O2.C7H8O3S/c1-5-7(10(11)12)6(2)9(4)8(5)3;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1