[11,12-di(decanoyl)-12-oxidanyl-10,13-bis(oxidanylidene)docosan-11-yl]-trimethyl-azanium bromide

Systemtic Name: [11,12-di(decanoyl)-12-oxidanyl-10,13-bis(oxidanylidene)docosan-11-yl]-trimethyl-azanium bromide Openeye Name: trimethyl-[1,1,2-tris(decanoyl)-2-hydroxy-3-oxo-dodecyl]ammonium bromide CAS Name: [12-hydroxy-10,13-dioxo-11,12-bis(1-oxodecyl)docosan-11-yl]-trimethylammonium bromide IUPAC Name: [11,12-di(decanoyl)-12-hydroxy-10,13-dioxodocosan-11-yl]-trimethylazanium bromide Traditional Name: trimethyl-(1,1,2-tricapryl-2-hydroxy-3-keto-dodecyl)ammonium bromide Formula: C45H86BrNO5 MolecularWeight: 801.07204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(C(=O)CCCCCCCCC)(C(C(=O)CCCCCCCCC)(C(=O)CCCCCCCCC)O)[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCC(=O)C(C(=O)CCCCCCCCC)(C(C(=O)CCCCCCCCC)(C(=O)CCCCCCCCC)O)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C45H86NO5.BrH/c1-8-12-16-20-24-28-32-36-40(47)44(46(5,6)7,41(48)37-33-29-25-21-17-13-9-2)45(51,42(49)38-34-30-26-22-18-14-10-3)43(50)39-35-31-27-23-19-15-11-4;/h51H,8-39H2,1-7H3;1H/q+1;/p-1