sodium 2,4-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: sodium 2,4-dimethyl-5-nitro-benzenesulfonate Openeye Name: sodium 2,4-dimethyl-5-nitro-benzenesulfonate CAS Name: sodium 2,4-dimethyl-5-nitrobenzenesulfonate IUPAC Name: sodium 2,4-dimethyl-5-nitrobenzenesulfonate Traditional Name: sodium 2,4-dimethyl-5-nitro-besylate Formula: C8H8NNaO5S MolecularWeight: 253.20759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S.Na/c1-5-3-6(2)8(15(12,13)14)4-7(5)9(10)11;/h3-4H,1-2H3,(H,12,13,14);/q;+1/p-1