(4-iodanyl-3-methoxy-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-iodanyl-3-methoxy-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-iodo-3-methoxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-iodo-3-methoxyphenyl) ester IUPAC Name: (4-iodo-3-methoxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-iodo-3-methoxy-phenyl) ester Formula: C14H13IO4S MolecularWeight: 404.22009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)I)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)I)OC

InChI

InChI=1S/C14H13IO4S/c1-10-3-6-12(7-4-10)20(16,17)19-11-5-8-13(15)14(9-11)18-2/h3-9H,1-2H3