(4-methyl-2-nitro-phenyl) 4-bromanyl-3-methyl-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H12BrNO5S MolecularWeight: 386.21778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO5S/c1-9-3-6-14(13(7-9)16(17)18)21-22(19,20)11-4-5-12(15)10(2)8-11/h3-8H,1-2H3