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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSN\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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