(6-iodanylpyridin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-iodanylpyridin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-iodo-3-pyridyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-iodo-3-pyridinyl)methyl ester IUPAC Name: (6-iodopyridin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-iodo-3-pyridyl)methyl ester Formula: C13H12INO3S MolecularWeight: 389.20875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12INO3S/c1-10-2-5-12(6-3-10)19(16,17)18-9-11-4-7-13(14)15-8-11/h2-8H,9H2,1H3