ethyl sulfate; [4-octadecanoyloxy-2-(1-octadecanoyloxyethyl)-2-oxidanyl-pentyl]azanium

Systemtic Name: ethyl sulfate; [4-octadecanoyloxy-2-(1-octadecanoyloxyethyl)-2-oxidanyl-pentyl]azanium Openeye Name: ethyl sulfate; [2-hydroxy-4-octadecanoyloxy-2-(1-octadecanoyloxyethyl)pentyl]ammonium CAS Name: ethyl sulfate; [2-hydroxy-4-(1-oxooctadecoxy)-2-[1-(1-oxooctadecoxy)ethyl]pentyl]ammonium IUPAC Name: ethyl sulfate; [2-hydroxy-4-octadecanoyloxy-2-(1-octadecanoyloxyethyl)pentyl]azanium Traditional Name: ethyl sulfate; [2-hydroxy-4-stearoyloxy-2-(1-stearoyloxyethyl)pentyl]ammonium Formula: C45H91NO9S MolecularWeight: 822.27034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)CC(C[NH3+])(C(C)OC(=O)CCCCCCCCCCCCCCCCC)O.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)CC(C[NH3+])(C(C)OC(=O)CCCCCCCCCCCCCCCCC)O.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C43H85NO5.C2H6O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(45)48-39(3)37-43(47,38-44)40(4)49-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-6-7(3,4)5/h39-40,47H,5-38,44H2,1-4H3;2H2,1H3,(H,3,4,5)