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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1O

Isomeric SMILES

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)/C(=C/C5=CC=CC=C5)/N1O

InChI

InChI=1S/C27H21NO5S/c29-26-14-8-7-13-22(26)24-17-23-20(18-28(30)25(23)15-19-9-3-1-4-10-19)16-27(24)34(31,32)33-21-11-5-2-6-12-21/h1-17,29-30H,18H2/b25-15-