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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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