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

Systemtic Name: (5-chloranylpyridin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-chloro-3-pyridyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-chloro-3-pyridinyl)methyl ester IUPAC Name: (5-chloropyridin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-chloro-3-pyridyl)methyl ester Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CN=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CN=C2)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-10-2-4-13(5-3-10)19(16,17)18-9-11-6-12(14)8-15-7-11/h2-8H,9H2,1H3