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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO5S/c1-2-34-28-18-22-20-30(25-15-9-10-16-27(25)31)26(17-21-11-5-3-6-12-21)24(22)19-29(28)36(32,33)35-23-13-7-4-8-14-23/h3-19,31H,2,20H2,1H3/b26-17+