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1-(3-hexadecylsulfanylpropylamino)propyl benzoate

1-(3-hexadecylsulfanylpropylamino)propyl benzoate

Systemtic Name:1-(3-hexadecylsulfanylpropylamino)propyl benzoate
Openeye Name:1-(3-hexadecylsulfanylpropylamino)propyl benzoate
CAS Name:benzoic acid 1-[3-(hexadecylthio)propylamino]propyl ester
IUPAC Name:1-(3-hexadecylsulfanylpropylamino)propyl benzoate
Traditional Name:benzoic acid 1-[3-(cetylthio)propylamino]propyl ester
Formula: C29H51NO2S
MolecularWeight: 477.78574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCCNC(CC)OC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCSCCCNC(CC)OC(=O)C1=CC=CC=C1


InChI

InChI=1S/C29H51NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-26-21-24-30-28(4-2)32-29(31)27-22-18-17-19-23-27/h17-19,22-23,28,30H,3-16,20-21,24-26H2,1-2H3


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