(2-chloranyl-6-methyl-phenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (2-chloranyl-6-methyl-phenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-chloro-6-methyl-phenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-chloro-6-methylphenyl) ester IUPAC Name: (2-chloro-6-methylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-chloro-6-methyl-phenyl) ester Formula: C13H9Cl2NO5S MolecularWeight: 362.18526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9Cl2NO5S/c1-8-3-2-4-11(15)13(8)21-22(19,20)9-5-6-10(14)12(7-9)16(17)18/h2-7H,1H3