(4-propan-2-ylphenyl) 6-chloranylpyridine-3-sulfonate

Systemtic Name: (4-propan-2-ylphenyl) 6-chloranylpyridine-3-sulfonate Openeye Name: (4-isopropylphenyl) 6-chloropyridine-3-sulfonate CAS Name: 6-chloro-3-pyridinesulfonic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 6-chloropyridine-3-sulfonate Traditional Name: 6-chloropyridine-3-sulfonic acid p-cumenyl ester Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3S/c1-10(2)11-3-5-12(6-4-11)19-20(17,18)13-7-8-14(15)16-9-13/h3-10H,1-2H3