[2-(13-dodecylpentacosan-13-yloxy)-2-oxidanylidene-ethyl]azanium bromide

Systemtic Name: [2-(13-dodecylpentacosan-13-yloxy)-2-oxidanylidene-ethyl]azanium bromide Openeye Name: [2-(1,1-didodecyltridecoxy)-2-oxo-ethyl]ammonium bromide CAS Name: [2-(13-dodecylpentacosan-13-yloxy)-2-oxoethyl]ammonium bromide IUPAC Name: [2-(13-dodecylpentacosan-13-yloxy)-2-oxoethyl]azanium bromide Traditional Name: [2-(1,1-dilauryltridecoxy)-2-keto-ethyl]ammonium bromide Formula: C39H80BrNO2 MolecularWeight: 674.962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)C[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(=O)C[NH3+].[Br-]

InChI

InChI=1S/C39H79NO2.BrH/c1-4-7-10-13-16-19-22-25-28-31-34-39(42-38(41)37-40,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;/h4-37,40H2,1-3H3;1H