2-ethylhexyl 3-[3-(dibutylcarbamothioylsulfanyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-[3-(dibutylcarbamothioylsulfanyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: 2-ethylhexyl 3-[3-(dibutylcarbamothioylsulfanyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-[[(dibutylamino)-sulfanylidenemethyl]thio]-2-hydroxypropyl]thio]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[3-(dibutylcarbamothioylsulfanyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(dibutylthiocarbamoylthio)-2-hydroxy-propyl]thio]propionic acid 2-ethylhexyl ester Formula: C23H45NO3S3 MolecularWeight: 479.8033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSCC(CSC(=S)N(CCCC)CCCC)O

Isomeric SMILES

CCCCC(CC)COC(=O)CCSCC(CSC(=S)N(CCCC)CCCC)O

InChI

InChI=1S/C23H45NO3S3/c1-5-9-12-20(8-4)17-27-22(26)13-16-29-18-21(25)19-30-23(28)24(14-10-6-2)15-11-7-3/h20-21,25H,5-19H2,1-4H3