(13-oxidanyl-13-oxidanylidene-tridecyl)-triphenyl-phosphanium bromide

Systemtic Name: (13-oxidanyl-13-oxidanylidene-tridecyl)-triphenyl-phosphanium bromide Openeye Name: (13-hydroxy-13-oxo-tridecyl)-triphenyl-phosphonium bromide CAS Name: (13-hydroxy-13-oxotridecyl)-triphenylphosphonium bromide IUPAC Name: (13-hydroxy-13-oxotridecyl)-triphenylphosphanium bromide Traditional Name: (13-hydroxy-13-keto-tridecyl)-triphenyl-phosphonium bromide Formula: C31H40BrO2P MolecularWeight: 555.525861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39O2P.BrH/c32-31(33)26-18-7-5-3-1-2-4-6-8-19-27-34(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,1-8,18-19,26-27H2;1H