phenyl (3E)-6-iodanyl-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate

Systemtic Name: phenyl (3E)-6-iodanyl-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-6-benzyl-1-benzylidene-5-iodo-isoindoline-2-sulfonate CAS Name: (3E)-6-iodo-5-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-5-benzyl-3-benzylidene-6-iodo-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-benzyl-5-iodo-isoindoline-2-sulfonic acid phenyl ester Formula: C28H22INO3S MolecularWeight: 579.44865

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5)I

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5)I

InChI

InChI=1S/C28H22INO3S/c29-27-19-24-20-30(34(31,32)33-25-14-8-3-9-15-25)28(17-22-12-6-2-7-13-22)26(24)18-23(27)16-21-10-4-1-5-11-21/h1-15,17-19H,16,20H2/b28-17+