sodium 5-chloranyl-4-methyl-2-nitro-benzenesulfonate

Systemtic Name: sodium 5-chloranyl-4-methyl-2-nitro-benzenesulfonate Openeye Name: sodium 5-chloro-4-methyl-2-nitro-benzenesulfonate CAS Name: sodium 5-chloro-4-methyl-2-nitrobenzenesulfonate IUPAC Name: sodium 5-chloro-4-methyl-2-nitrobenzenesulfonate Traditional Name: sodium 5-chloro-4-methyl-2-nitro-besylate Formula: C7H5ClNNaO5S MolecularWeight: 273.62607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C7H6ClNO5S.Na/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1