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

Systemtic Name: phenyl (3E)-6-chloranyl-2-oxidanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-6-chloro-2-hydroxy-isoindoline-5-sulfonate CAS Name: (3E)-6-chloro-2-hydroxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-chloro-2-hydroxy-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-chloro-2-hydroxy-isoindoline-5-sulfonic acid phenyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1O)S(=O)(=O)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1O)S(=O)(=O)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClNO4S/c22-19-12-16-14-23(24)20(11-15-7-3-1-4-8-15)18(16)13-21(19)28(25,26)27-17-9-5-2-6-10-17/h1-13,24H,14H2/b20-11+