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

Systemtic Name: phenyl (1E)-2,6-bis(2-hydroxyphenyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2,6-bis(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (1E)-2,6-bis(2-hydroxyphenyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-2,6-bis(2-hydroxyphenyl)-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2,6-bis(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C33H25NO5S MolecularWeight: 547.6203

Click to see the large picture

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)N1C6=CC=CC=C6O

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)/N1C6=CC=CC=C6O

InChI

InChI=1S/C33H25NO5S/c35-31-17-9-7-15-26(31)28-21-27-24(20-33(28)40(37,38)39-25-13-5-2-6-14-25)22-34(29-16-8-10-18-32(29)36)30(27)19-23-11-3-1-4-12-23/h1-21,35-36H,22H2/b30-19+