[3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxidanylidene-pentadecan-2-yl]phosphanium bromide

Systemtic Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxidanylidene-pentadecan-2-yl]phosphanium bromide Openeye Name: [2-dodecyl-2-(2-dodecylphenyl)-1-methoxycarbonyl-1-methyl-tetradecyl]phosphonium bromide CAS Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxopentadecan-2-yl]phosphonium bromide IUPAC Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxopentadecan-2-yl]phosphanium bromide Traditional Name: [1-carbomethoxy-2-lauryl-2-(2-laurylphenyl)-1-methyl-tetradecyl]phosphonium bromide Formula: C47H88BrO2P MolecularWeight: 796.078181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)OC)[PH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)OC)[PH3+].[Br-]

InChI

InChI=1S/C47H87O2P.BrH/c1-6-9-12-15-18-21-24-27-30-33-38-43-39-34-35-40-44(43)47(46(4,50)45(48)49-5,41-36-31-28-25-22-19-16-13-10-7-2)42-37-32-29-26-23-20-17-14-11-8-3;/h34-35,39-40H,6-33,36-38,41-42,50H2,1-5H3;1H