phenyl (1Z)-2-iodanyl-1-(phenylmethylidene)-6-(phenylsulfonyl)-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1Z)-2-iodanyl-1-(phenylmethylidene)-6-(phenylsulfonyl)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-6-(benzenesulfonyl)-1-benzylidene-2-iodo-isoindoline-5-sulfonate CAS Name: (1Z)-6-(benzenesulfonyl)-2-iodo-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-6-(benzenesulfonyl)-1-benzylidene-2-iodo-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-6-besyl-2-iodo-isoindoline-5-sulfonic acid phenyl ester Formula: C27H20INO5S2 MolecularWeight: 629.48587

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1I)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C/C3=CC=CC=C3)/N1I)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H20INO5S2/c28-29-19-21-17-27(36(32,33)34-22-12-6-2-7-13-22)26(35(30,31)23-14-8-3-9-15-23)18-24(21)25(29)16-20-10-4-1-5-11-20/h1-18H,19H2/b25-16-