(5-chloranylpyridin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-chloranylpyridin-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-chloro-3-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-chloro-3-pyridinyl) ester IUPAC Name: (5-chloropyridin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-chloro-3-pyridyl) ester Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CN=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CN=C2)Cl

InChI

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