2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide

Systemtic Name: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide Openeye Name: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide CAS Name: 2,4,4-triphenyl-1,4-benzoxaphosphorin-4-ium bromide IUPAC Name: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide Traditional Name: 2,4,4-triphenyl-1,4-benzoxaphosphorin-4-ium bromide Formula: C26H20BrOP MolecularWeight: 459.314161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[P+](C3=CC=CC=C3O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[P+](C3=CC=CC=C3O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H20OP.BrH/c1-4-12-21(13-5-1)25-20-28(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-19-11-10-18-24(26)27-25;/h1-20H;1H/q+1;/p-1