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

Systemtic Name: phenyl (1E)-6-(2-hydroxyphenyl)-2-methylsulfanyl-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-(2-hydroxyphenyl)-2-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (1E)-6-(2-hydroxyphenyl)-2-(methylthio)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-6-(2-hydroxyphenyl)-2-methylsulfanyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-6-(2-hydroxyphenyl)-2-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C28H23NO4S2 MolecularWeight: 501.61652

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

CSN\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C28H23NO4S2/c1-34-29-19-21-17-28(35(31,32)33-22-12-6-3-7-13-22)25(23-14-8-9-15-27(23)30)18-24(21)26(29)16-20-10-4-2-5-11-20/h2-18,30H,19H2,1H3/b26-16+