4-chloranyl-3-methyl-5-nitro-benzenesulfonate

Systemtic Name: 4-chloranyl-3-methyl-5-nitro-benzenesulfonate Openeye Name: 4-chloro-3-methyl-5-nitro-benzenesulfonate CAS Name: 4-chloro-3-methyl-5-nitrobenzenesulfonate IUPAC Name: 4-chloro-3-methyl-5-nitrobenzenesulfonate Traditional Name: 4-chloro-3-methyl-5-nitro-besylate Formula: C7H5ClNO5S- MolecularWeight: 250.6363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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