sodium 4-methyl-2-nitro-benzenesulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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