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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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