(3-oxidanyl-4-oxidanylidene-1,3,4-triphenyl-butyl)-triphenyl-phosphanium bromide

Systemtic Name: (3-oxidanyl-4-oxidanylidene-1,3,4-triphenyl-butyl)-triphenyl-phosphanium bromide Openeye Name: (3-hydroxy-4-oxo-1,3,4-triphenyl-butyl)-triphenyl-phosphonium bromide CAS Name: (3-hydroxy-4-oxo-1,3,4-triphenylbutyl)-triphenylphosphonium bromide IUPAC Name: (3-hydroxy-4-oxo-1,3,4-triphenylbutyl)-triphenylphosphanium bromide Traditional Name: (3-hydroxy-4-keto-1,3,4-triphenyl-butyl)-triphenyl-phosphonium bromide Formula: C40H34BrO2P MolecularWeight: 657.574521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C40H34O2P.BrH/c41-39(33-21-9-2-10-22-33)40(42,34-23-11-3-12-24-34)31-38(32-19-7-1-8-20-32)43(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37;/h1-30,38,42H,31H2;1H/q+1;/p-1