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

Systemtic Name: phenyl (3E)-5-(2-hydroxyphenyl)-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-(2-hydroxyphenyl)-5-isopropylsulfonyl-isoindoline-2-sulfonate CAS Name: (3E)-5-(2-hydroxyphenyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-(2-hydroxyphenyl)-6-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-(2-hydroxyphenyl)-5-isopropylsulfonyl-isoindoline-2-sulfonic acid phenyl ester Formula: C30H27NO6S2 MolecularWeight: 561.66848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=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/C30H27NO6S2/c1-21(2)38(33,34)30-18-23-20-31(39(35,36)37-24-13-7-4-8-14-24)28(17-22-11-5-3-6-12-22)26(23)19-27(30)25-15-9-10-16-29(25)32/h3-19,21,32H,20H2,1-2H3/b28-17+