[2,5-bis(chloranyl)phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2,5-bis(chloranyl)phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2,5-dichlorophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2,5-dichlorophenyl) ester IUPAC Name: (2,5-dichlorophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2,5-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=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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