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

Systemtic Name: phenyl (3Z)-2-iodanyl-6-methoxy-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-2-iodo-6-methoxy-isoindoline-5-sulfonate CAS Name: (3Z)-2-iodo-6-methoxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2-iodo-6-methoxy-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-iodo-6-methoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C22H18INO4S MolecularWeight: 519.35209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)I)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)I)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H18INO4S/c1-27-21-13-17-15-24(23)20(12-16-8-4-2-5-9-16)19(17)14-22(21)29(25,26)28-18-10-6-3-7-11-18/h2-14H,15H2,1H3/b20-12-