bis(2-octadecanoyloxyethyl)-(3-oxidanylpropyl)azanium; hydrogen sulfate

Systemtic Name: bis(2-octadecanoyloxyethyl)-(3-oxidanylpropyl)azanium; hydrogen sulfate Openeye Name: hydrogen sulfate; 3-hydroxypropyl-bis(2-octadecanoyloxyethyl)ammonium CAS Name: hydrogen sulfate; 3-hydroxypropyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium IUPAC Name: hydrogen sulfate; 3-hydroxypropyl-bis(2-octadecanoyloxyethyl)azanium Traditional Name: 3-hydroxypropyl-bis(2-stearoyloxyethyl)ammonium bisulfate Formula: C43H87NO9S MolecularWeight: 794.21718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCCO)CCOC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCCO)CCOC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

InChI

InChI=1S/C43H85NO5.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(46)48-40-37-44(36-33-39-45)38-41-49-43(47)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h45H,3-41H2,1-2H3;(H2,1,2,3,4)