(2-iodanyl-4-methyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-iodanyl-4-methyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-iodo-4-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-iodo-4-methylphenyl) ester IUPAC Name: (2-iodo-4-methylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-iodo-4-methyl-phenyl) ester Formula: C14H13IO3S MolecularWeight: 388.22069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IO3S/c1-10-3-6-12(7-4-10)19(16,17)18-14-8-5-11(2)9-13(14)15/h3-9H,1-2H3