(4-methylphenyl) 5-bromanyl-6-chloranyl-pyridine-3-sulfonate

Systemtic Name: (4-methylphenyl) 5-bromanyl-6-chloranyl-pyridine-3-sulfonate Openeye Name: p-tolyl 5-bromo-6-chloro-pyridine-3-sulfonate CAS Name: 5-bromo-6-chloro-3-pyridinesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-bromo-6-chloropyridine-3-sulfonate Traditional Name: 5-bromo-6-chloro-pyridine-3-sulfonic acid p-tolyl ester Formula: C12H9BrClNO3S MolecularWeight: 362.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C12H9BrClNO3S/c1-8-2-4-9(5-3-8)18-19(16,17)10-6-11(13)12(14)15-7-10/h2-7H,1H3