[2-(1,3-benzothiazol-2-yl)phenyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl]-triphenyl-phosphanium bromide Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl]-triphenyl-phosphonium bromide CAS Name: [2-(1,3-benzothiazol-2-yl)phenyl]-triphenylphosphonium bromide IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl]-triphenylphosphanium bromide Traditional Name: [2-(1,3-benzothiazol-2-yl)phenyl]-triphenyl-phosphonium bromide Formula: C31H23BrNPS MolecularWeight: 552.463781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4C5=NC6=CC=CC=C6S5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4C5=NC6=CC=CC=C6S5.[Br-]

InChI

InChI=1S/C31H23NPS.BrH/c1-4-14-24(15-5-1)33(25-16-6-2-7-17-25,26-18-8-3-9-19-26)29-22-12-10-20-27(29)31-32-28-21-11-13-23-30(28)34-31;/h1-23H;1H/q+1;/p-1