diphenyl (3Z)-2-bromanyl-3-(phenylmethylidene)-1H-isoindole-5,6-disulfonate

Systemtic Name: diphenyl (3Z)-2-bromanyl-3-(phenylmethylidene)-1H-isoindole-5,6-disulfonate Openeye Name: diphenyl (1Z)-1-benzylidene-2-bromo-isoindoline-5,6-disulfonate CAS Name: (3Z)-2-bromo-3-(phenylmethylene)-1H-isoindole-5,6-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3Z)-3-benzylidene-2-bromo-1H-isoindole-5,6-disulfonate Traditional Name: (1Z)-1-benzal-2-bromo-isoindoline-5,6-disulfonic acid diphenyl ester Formula: C27H20BrNO6S2 MolecularWeight: 598.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1Br)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C/C3=CC=CC=C3)/N1Br)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H20BrNO6S2/c28-29-19-21-17-26(36(30,31)34-22-12-6-2-7-13-22)27(37(32,33)35-23-14-8-3-9-15-23)18-24(21)25(29)16-20-10-4-1-5-11-20/h1-18H,19H2/b25-16-