[1-(dimethylamino)-3-octadecylsulfanyl-propan-2-yl] ethanoate

Systemtic Name: [1-(dimethylamino)-3-octadecylsulfanyl-propan-2-yl] ethanoate Openeye Name: [1-(dimethylaminomethyl)-2-octadecylsulfanyl-ethyl] acetate CAS Name: acetic acid [1-(dimethylamino)-3-(octadecylthio)propan-2-yl] ester IUPAC Name: [1-(dimethylamino)-3-octadecylsulfanylpropan-2-yl] acetate Traditional Name: acetic acid [1-(dimethylaminomethyl)-2-(stearylthio)ethyl] ester Formula: C25H51NO2S MolecularWeight: 429.74294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CN(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CN(C)C)OC(=O)C

InChI

InChI=1S/C25H51NO2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-23-25(22-26(3)4)28-24(2)27/h25H,5-23H2,1-4H3