4-methylbenzenesulfonate; (4-nitrophenyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; (4-nitrophenyl)azanium Openeye Name: 4-methylbenzenesulfonate; (4-nitrophenyl)ammonium CAS Name: 4-methylbenzenesulfonate; (4-nitrophenyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; (4-nitrophenyl)azanium Traditional Name: (4-nitrophenyl)ammonium tosylate Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C7H8O3S.C6H6N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-1-3-6(4-2-5)8(9)10/h2-5H,1H3,(H,8,9,10);1-4H,7H2