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

Systemtic Name: diphenyl (3E)-2-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-5,6-disulfonate Openeye Name: diphenyl (1E)-1-benzylidene-2-(2-hydroxyphenyl)isoindoline-5,6-disulfonate CAS Name: (3E)-2-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-5,6-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-3-benzylidene-2-(2-hydroxyphenyl)-1H-isoindole-5,6-disulfonate Traditional Name: (1E)-1-benzal-2-(2-hydroxyphenyl)isoindoline-5,6-disulfonic acid diphenyl ester Formula: C33H25NO7S2 MolecularWeight: 611.6841

Click to see the large picture

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)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H25NO7S2/c35-31-19-11-10-18-29(31)34-23-25-21-32(42(36,37)40-26-14-6-2-7-15-26)33(43(38,39)41-27-16-8-3-9-17-27)22-28(25)30(34)20-24-12-4-1-5-13-24/h1-22,35H,23H2/b30-20+