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

Systemtic Name: phenyl (3E)-6-(2-hydroxyphenyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindoline-2-sulfonate CAS Name: (3E)-6-(2-hydroxyphenyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-(2-hydroxyphenyl)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-(2-hydroxyphenyl)-6-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(CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C=C1C5=CC=CC=C5O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC\2=C(CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C=C1C5=CC=CC=C5O

InChI

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