sodium 2-chloranyl-5-methyl-3-nitro-benzenesulfonate

Systemtic Name: sodium 2-chloranyl-5-methyl-3-nitro-benzenesulfonate Openeye Name: sodium 2-chloro-5-methyl-3-nitro-benzenesulfonate CAS Name: sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate IUPAC Name: sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate Traditional Name: sodium 2-chloro-5-methyl-3-nitro-besylate Formula: C7H5ClNNaO5S MolecularWeight: 273.62607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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