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ethyl 2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propanoate

ethyl 2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propanoate

Systemtic Name:ethyl 2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propanoate
Openeye Name:ethyl 2-(hexadecoxymethyl)-3-hexadecylsulfanyl-propanoate
CAS Name:2-(hexadecoxymethyl)-3-(hexadecylthio)propanoic acid ethyl ester
IUPAC Name:ethyl 2-(hexadecoxymethyl)-3-hexadecylsulfanylpropanoate
Traditional Name:2-(cetyloxymethyl)-3-(cetylthio)propionic acid ethyl ester
Formula: C38H76O3S
MolecularWeight: 613.07324
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCC)C(=O)OCC


Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCC)C(=O)OCC


InChI

InChI=1S/C38H76O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40-35-37(38(39)41-6-3)36-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37H,4-36H2,1-3H3


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