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

Systemtic Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxidanylidene-pentadecan-2-yl]azanium bromide Openeye Name: [2-dodecyl-2-(2-dodecylphenyl)-1-methoxycarbonyl-1-methyl-tetradecyl]ammonium bromide CAS Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxopentadecan-2-yl]ammonium bromide IUPAC Name: [3-dodecyl-3-(2-dodecylphenyl)-1-methoxy-2-methyl-1-oxopentadecan-2-yl]azanium bromide Traditional Name: [1-carbomethoxy-2-lauryl-2-(2-laurylphenyl)-1-methyl-tetradecyl]ammonium bromide Formula: C47H88BrNO2 MolecularWeight: 779.11112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)OC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)OC)[NH3+].[Br-]

InChI

InChI=1S/C47H87NO2.BrH/c1-6-9-12-15-18-21-24-27-30-33-38-43-39-34-35-40-44(43)47(46(4,48)45(49)50-5,41-36-31-28-25-22-19-16-13-10-7-2)42-37-32-29-26-23-20-17-14-11-8-3;/h34-35,39-40H,6-33,36-38,41-42,48H2,1-5H3;1H