phenyl (1Z)-2-bromanyl-6-oxidanyl-1-(phenylmethylidene)-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1Z)-2-bromanyl-6-oxidanyl-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-1-benzylidene-2-bromo-6-hydroxy-isoindoline-5-sulfonate CAS Name: (1Z)-2-bromo-6-hydroxy-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-1-benzylidene-2-bromo-6-hydroxy-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-2-bromo-6-hydroxy-isoindoline-5-sulfonic acid phenyl ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1Br)O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C/C3=CC=CC=C3)/N1Br)O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H16BrNO4S/c22-23-14-16-12-21(28(25,26)27-17-9-5-2-6-10-17)20(24)13-18(16)19(23)11-15-7-3-1-4-8-15/h1-13,24H,14H2/b19-11-