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

Systemtic Name: 5-chloranyl-4-methyl-2-nitro-benzenesulfonate Openeye Name: 5-chloro-4-methyl-2-nitro-benzenesulfonate CAS Name: 5-chloro-4-methyl-2-nitrobenzenesulfonate IUPAC Name: 5-chloro-4-methyl-2-nitrobenzenesulfonate Traditional Name: 5-chloro-4-methyl-2-nitro-besylate Formula: C7H5ClNO5S- MolecularWeight: 250.6363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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