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

Systemtic Name: phenyl (3E)-2-iodanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-6-benzyl-3-benzylidene-2-iodo-isoindoline-5-sulfonate CAS Name: (3E)-2-iodo-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-6-benzyl-3-benzylidene-2-iodo-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-benzyl-2-iodo-isoindoline-5-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)N1I)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1I)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H22INO3S/c29-30-20-24-18-23(16-21-10-4-1-5-11-21)28(34(31,32)33-25-14-8-3-9-15-25)19-26(24)27(30)17-22-12-6-2-7-13-22/h1-15,17-19H,16,20H2/b27-17+