(4-methylphenyl) 6-chloranylpyridine-3-sulfonate

Systemtic Name: (4-methylphenyl) 6-chloranylpyridine-3-sulfonate Openeye Name: p-tolyl 6-chloropyridine-3-sulfonate CAS Name: 6-chloro-3-pyridinesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 6-chloropyridine-3-sulfonate Traditional Name: 6-chloropyridine-3-sulfonic acid p-tolyl ester Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C12H10ClNO3S/c1-9-2-4-10(5-3-9)17-18(15,16)11-6-7-12(13)14-8-11/h2-8H,1H3