iodanylbenzene; (4-methoxyphenyl) octane-1-sulfonate

Systemtic Name: iodanylbenzene; (4-methoxyphenyl) octane-1-sulfonate Openeye Name: iodobenzene; (4-methoxyphenyl) octane-1-sulfonate CAS Name: iodobenzene; 1-octanesulfonic acid IUPAC Name: iodobenzene; (4-methoxyphenyl) octane-1-sulfonate Traditional Name: iodobenzene; octane-1-sulfonic acid (4-methoxyphenyl) ester Formula: C21H29IO4S MolecularWeight: 504.42203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)OC.C1=CC=C(C=C1)I

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)OC.C1=CC=C(C=C1)I

InChI

InChI=1S/C15H24O4S.C6H5I/c1-3-4-5-6-7-8-13-20(16,17)19-15-11-9-14(18-2)10-12-15;7-6-4-2-1-3-5-6/h9-12H,3-8,13H2,1-2H3;1-5H