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

Systemtic Name: phenyl (3E)-6-bromanyl-2-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-6-bromo-2-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (3E)-6-bromo-2-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-bromo-2-(2-hydroxyphenyl)-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-bromo-2-(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C27H20BrNO4S MolecularWeight: 534.421

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)Br

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)Br

InChI

InChI=1S/C27H20BrNO4S/c28-23-16-20-18-29(24-13-7-8-14-26(24)30)25(15-19-9-3-1-4-10-19)22(20)17-27(23)34(31,32)33-21-11-5-2-6-12-21/h1-17,30H,18H2/b25-15+