diphenyl (3E)-6-iodanyl-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate

Systemtic Name: diphenyl (3E)-6-iodanyl-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate Openeye Name: diphenyl (3E)-3-benzylidene-6-iodo-isoindoline-2,5-disulfonate CAS Name: (3E)-6-iodo-3-(phenylmethylene)-1H-isoindole-2,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-3-benzylidene-6-iodo-1H-isoindole-2,5-disulfonate Traditional Name: (3E)-3-benzal-6-iodo-isoindoline-2,5-disulfonic acid diphenyl ester Formula: C27H20INO6S2 MolecularWeight: 645.48527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)I

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)I

InChI

InChI=1S/C27H20INO6S2/c28-25-17-21-19-29(37(32,33)35-23-14-8-3-9-15-23)26(16-20-10-4-1-5-11-20)24(21)18-27(25)36(30,31)34-22-12-6-2-7-13-22/h1-18H,19H2/b26-16+