1,1-di(octadecanoyloxy)ethyl-dimethyl-azanium; methoxy sulfate

Systemtic Name: 1,1-di(octadecanoyloxy)ethyl-dimethyl-azanium; methoxy sulfate Openeye Name: 1,1-di(octadecanoyloxy)ethyl-dimethyl-ammonium; methoxy sulfate CAS Name: 1,1-bis(1-oxooctadecoxy)ethyl-dimethylammonium; methoxy sulfate IUPAC Name: 1,1-di(octadecanoyloxy)ethyl-dimethylazanium; methoxy sulfate Traditional Name: 1,1-distearoyloxyethyl(dimethyl)ammonium; methoxy sulfate Formula: C41H83NO9S MolecularWeight: 766.16402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)([NH+](C)C)OC(=O)CCCCCCCCCCCCCCCCC.COOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)([NH+](C)C)OC(=O)CCCCCCCCCCCCCCCCC.COOS(=O)(=O)[O-]

InChI

InChI=1S/C40H79NO4.CH4O5S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(42)44-40(3,41(4)5)45-39(43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6-7(2,3)4/h6-37H2,1-5H3;1H3,(H,2,3,4)