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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-bromo-4-methyl-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)C)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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