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

Systemtic Name: phenyl (3E)-2-ethoxy-6-oxidanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-2-ethoxy-6-hydroxy-isoindoline-5-sulfonate CAS Name: (3E)-2-ethoxy-6-hydroxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-2-ethoxy-6-hydroxy-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-ethoxy-6-hydroxy-isoindoline-5-sulfonic acid phenyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5S/c1-2-28-24-16-18-14-22(25)23(30(26,27)29-19-11-7-4-8-12-19)15-20(18)21(24)13-17-9-5-3-6-10-17/h3-15,25H,2,16H2,1H3/b21-13+