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

Systemtic Name: phenyl (1Z)-2-bromanyl-6-(2-hydroxyphenyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-1-benzylidene-2-bromo-6-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (1Z)-2-bromo-6-(2-hydroxyphenyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-1-benzylidene-2-bromo-6-(2-hydroxyphenyl)-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-2-bromo-6-(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C27H20BrNO4S MolecularWeight: 534.421

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1Br

Isomeric SMILES

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)/C(=C/C5=CC=CC=C5)/N1Br

InChI

InChI=1S/C27H20BrNO4S/c28-29-18-20-16-27(34(31,32)33-21-11-5-2-6-12-21)24(22-13-7-8-14-26(22)30)17-23(20)25(29)15-19-9-3-1-4-10-19/h1-17,30H,18H2/b25-15-