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

Systemtic Name: phenyl (3E)-6-ethoxy-5-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-ethoxy-6-(2-hydroxyphenyl)isoindoline-2-sulfonate CAS Name: (3E)-6-ethoxy-5-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-ethoxy-5-(2-hydroxyphenyl)-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-ethoxy-6-(2-hydroxyphenyl)isoindoline-2-sulfonic acid phenyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO5S/c1-2-34-29-18-22-20-30(36(32,33)35-23-13-7-4-8-14-23)27(17-21-11-5-3-6-12-21)25(22)19-26(29)24-15-9-10-16-28(24)31/h3-19,31H,2,20H2,1H3/b27-17+