iodanylbenzene; (4-methoxyphenyl) benzenesulfonate

Systemtic Name: iodanylbenzene; (4-methoxyphenyl) benzenesulfonate Openeye Name: iodobenzene; (4-methoxyphenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-methoxyphenyl) ester; iodobenzene IUPAC Name: iodobenzene; (4-methoxyphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-methoxyphenyl) ester; iodobenzene Formula: C19H17IO4S MolecularWeight: 468.30535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)I

Isomeric SMILES

COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)I

InChI

InChI=1S/C13H12O4S.C6H5I/c1-16-11-7-9-12(10-8-11)17-18(14,15)13-5-3-2-4-6-13;7-6-4-2-1-3-5-6/h2-10H,1H3;1-5H