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

Systemtic Name: phenyl (3E)-5-(2-hydroxyphenyl)-6-iodanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-(2-hydroxyphenyl)-5-iodo-isoindoline-2-sulfonate CAS Name: (3E)-5-(2-hydroxyphenyl)-6-iodo-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-(2-hydroxyphenyl)-6-iodo-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-(2-hydroxyphenyl)-5-iodo-isoindoline-2-sulfonic acid phenyl ester Formula: C27H20INO4S MolecularWeight: 581.42147

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)I)C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N1S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=C(C(=C2)I)C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N1S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H20INO4S/c28-25-16-20-18-29(34(31,32)33-21-11-5-2-6-12-21)26(15-19-9-3-1-4-10-19)23(20)17-24(25)22-13-7-8-14-27(22)30/h1-17,30H,18H2/b26-15+