phenyl (1Z)-6-oxidanyl-2-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1Z)-6-oxidanyl-2-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-2-benzyl-1-benzylidene-6-hydroxy-isoindoline-5-sulfonate CAS Name: (1Z)-6-hydroxy-2-(phenylmethyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-2-benzyl-1-benzylidene-6-hydroxy-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-2-benzyl-6-hydroxy-isoindoline-5-sulfonic acid phenyl ester Formula: C28H23NO4S MolecularWeight: 469.55152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1CC4=CC=CC=C4)O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C/C3=CC=CC=C3)/N1CC4=CC=CC=C4)O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO4S/c30-27-18-25-23(17-28(27)34(31,32)33-24-14-8-3-9-15-24)20-29(19-22-12-6-2-7-13-22)26(25)16-21-10-4-1-5-11-21/h1-18,30H,19-20H2/b26-16-