(3,5-dimethylphenyl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (3,5-dimethylphenyl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO5S/c1-9-5-10(2)7-12(6-9)21-22(19,20)14-8-11(16(17)18)3-4-13(14)15/h3-8H,1-2H3