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

Systemtic Name: phenyl (3Z)-6-(2-hydroxyphenyl)-2-iodanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-6-(2-hydroxyphenyl)-2-iodo-isoindoline-5-sulfonate CAS Name: (3Z)-6-(2-hydroxyphenyl)-2-iodo-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-6-(2-hydroxyphenyl)-2-iodo-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-6-(2-hydroxyphenyl)-2-iodo-isoindoline-5-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)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)C(=CC5=CC=CC=C5)N1I

Isomeric SMILES

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)/C(=C/C5=CC=CC=C5)/N1I

InChI

InChI=1S/C27H20INO4S/c28-29-18-20-16-24(22-13-7-8-14-26(22)30)27(34(31,32)33-21-11-5-2-6-12-21)17-23(20)25(29)15-19-9-3-1-4-10-19/h1-17,30H,18H2/b25-15-