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

Systemtic Name: phenyl (3E)-2-(2-hydroxyphenyl)-6-oxidanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-6-hydroxy-2-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (3E)-6-hydroxy-2-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-hydroxy-2-(2-hydroxyphenyl)-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-hydroxy-2-(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C27H21NO5S MolecularWeight: 471.52434

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO5S/c29-25-14-8-7-13-23(25)28-18-20-16-26(30)27(34(31,32)33-21-11-5-2-6-12-21)17-22(20)24(28)15-19-9-3-1-4-10-19/h1-17,29-30H,18H2/b24-15+