(3,4-dichlorophenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (3,4-dichlorophenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (3,4-dichlorophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (3,4-dichlorophenyl) ester Formula: C13H9Cl2NO5S MolecularWeight: 362.18526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

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