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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

InChI

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