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

Systemtic Name: phenyl (3E)-6-iodanyl-5-oxidanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-hydroxy-5-iodo-isoindoline-2-sulfonate CAS Name: (3E)-5-hydroxy-6-iodo-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-hydroxy-6-iodo-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-hydroxy-5-iodo-isoindoline-2-sulfonic acid phenyl ester Formula: C21H16INO4S MolecularWeight: 505.32551

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)O)I

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)OC4=CC=CC=C4)O)I

InChI

InChI=1S/C21H16INO4S/c22-19-12-16-14-23(28(25,26)27-17-9-5-2-6-10-17)20(18(16)13-21(19)24)11-15-7-3-1-4-8-15/h1-13,24H,14H2/b20-11+