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

Systemtic Name: iodanylbenzene; (4-methoxyphenyl) pyrene-1-sulfonate Openeye Name: iodobenzene; (4-methoxyphenyl) pyrene-1-sulfonate CAS Name: iodobenzene; 1-pyrenesulfonic acid (4-methoxyphenyl) ester IUPAC Name: iodobenzene; (4-methoxyphenyl) pyrene-1-sulfonate Traditional Name: iodobenzene; pyrene-1-sulfonic acid (4-methoxyphenyl) ester Formula: C29H21IO4S MolecularWeight: 592.44411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.C1=CC=C(C=C1)I

Isomeric SMILES

COC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.C1=CC=C(C=C1)I

InChI

InChI=1S/C23H16O4S.C6H5I/c1-26-18-9-11-19(12-10-18)27-28(24,25)21-14-8-17-6-5-15-3-2-4-16-7-13-20(21)23(17)22(15)16;7-6-4-2-1-3-5-6/h2-14H,1H3;1-5H