ethyl-di(octadecanoyl)azanium; methyl sulfate

Systemtic Name: ethyl-di(octadecanoyl)azanium; methyl sulfate Openeye Name: ethyl-di(octadecanoyl)ammonium; methyl sulfate CAS Name: ethyl-bis(1-oxooctadecyl)ammonium; methyl sulfate IUPAC Name: ethyl-di(octadecanoyl)azanium; methyl sulfate Traditional Name: ethyl(distearoyl)ammonium; methyl sulfate Formula: C39H79NO6S MolecularWeight: 690.11266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[NH+](CC)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[NH+](CC)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C38H75NO2.CH4O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(40)39(6-3)38(41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-5-6(2,3)4/h4-36H2,1-3H3;1H3,(H,2,3,4)