potassium 3-chloranyl-6-methyl-2,4-dinitro-benzenesulfonate

Systemtic Name: potassium 3-chloranyl-6-methyl-2,4-dinitro-benzenesulfonate Openeye Name: potassium 3-chloro-6-methyl-2,4-dinitro-benzenesulfonate CAS Name: potassium 3-chloro-6-methyl-2,4-dinitrobenzenesulfonate IUPAC Name: potassium 3-chloro-6-methyl-2,4-dinitrobenzenesulfonate Traditional Name: potassium 3-chloro-6-methyl-2,4-dinitro-besylate Formula: C7H4ClKN2O7S MolecularWeight: 334.73216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-].[K+]

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-].[K+]

InChI

InChI=1S/C7H5ClN2O7S.K/c1-3-2-4(9(11)12)5(8)6(10(13)14)7(3)18(15,16)17;/h2H,1H3,(H,15,16,17);/q;+1/p-1