(4-methyl-2-nitro-phenyl) 4-bromanyl-2-chloranyl-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-bromanyl-2-chloranyl-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-bromo-2-chloro-benzenesulfonate CAS Name: 4-bromo-2-chlorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-bromo-2-chlorobenzenesulfonate Traditional Name: 4-bromo-2-chloro-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H9BrClNO5S MolecularWeight: 406.63626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrClNO5S/c1-8-2-4-12(11(6-8)16(17)18)21-22(19,20)13-5-3-9(14)7-10(13)15/h2-7H,1H3