(1-oxidanyl-1-oxidanylidene-dodecan-2-yl)-triphenyl-phosphanium bromide

Systemtic Name: (1-oxidanyl-1-oxidanylidene-dodecan-2-yl)-triphenyl-phosphanium bromide Openeye Name: 1-carboxyundecyl(triphenyl)phosphonium bromide CAS Name: (1-hydroxy-1-oxododecan-2-yl)-triphenylphosphonium bromide IUPAC Name: (1-hydroxy-1-oxododecan-2-yl)-triphenylphosphanium bromide Traditional Name: 1-carboxyundecyl(triphenyl)phosphonium bromide Formula: C30H38BrO2P MolecularWeight: 541.499281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37O2P.BrH/c1-2-3-4-5-6-7-8-18-25-29(30(31)32)33(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24,29H,2-8,18,25H2,1H3;1H