(3,5-dimethylphenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: (3,5-dimethylphenyl) 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: (3,5-dimethylphenyl) 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid (3,5-dimethylphenyl) ester Formula: C15H14ClNO5S MolecularWeight: 355.79336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO5S/c1-9-4-10(2)6-12(5-9)22-23(20,21)13-7-14(16)11(3)15(8-13)17(18)19/h4-8H,1-3H3