sodium 2-methyl-4-nitro-benzenesulfonate

Systemtic Name: sodium 2-methyl-4-nitro-benzenesulfonate Openeye Name: sodium 2-methyl-4-nitro-benzenesulfonate CAS Name: sodium 2-methyl-4-nitrobenzenesulfonate IUPAC Name: sodium 2-methyl-4-nitrobenzenesulfonate Traditional Name: sodium 2-methyl-4-nitro-besylate Formula: C7H6NNaO5S MolecularWeight: 239.18101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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