diphenyl (3E)-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate

Systemtic Name: diphenyl (3E)-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate Openeye Name: diphenyl (3E)-3-benzylidene-6-methylsulfanyl-isoindoline-2,5-disulfonate CAS Name: (3E)-6-(methylthio)-3-(phenylmethylene)-1H-isoindole-2,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-3-benzylidene-6-methylsulfanyl-1H-isoindole-2,5-disulfonate Traditional Name: (3E)-3-benzal-6-(methylthio)isoindoline-2,5-disulfonic acid diphenyl ester Formula: C28H23NO6S3 MolecularWeight: 565.68032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO6S3/c1-36-27-18-22-20-29(38(32,33)35-24-15-9-4-10-16-24)26(17-21-11-5-2-6-12-21)25(22)19-28(27)37(30,31)34-23-13-7-3-8-14-23/h2-19H,20H2,1H3/b26-17+