azanium 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: azanium 2-methyl-5-nitro-benzenesulfonate Openeye Name: ammonium 2-methyl-5-nitro-benzenesulfonate CAS Name: ammonium 2-methyl-5-nitrobenzenesulfonate IUPAC Name: azanium 2-methyl-5-nitrobenzenesulfonate Traditional Name: ammonium 2-methyl-5-nitro-besylate Formula: C7H10N2O5S MolecularWeight: 234.2297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C7H7NO5S.H3N/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);1H3