octadecyl 3-[3,5-bis(methylsulfanyl)hexanoylsulfanyl]propanoate

Systemtic Name: octadecyl 3-[3,5-bis(methylsulfanyl)hexanoylsulfanyl]propanoate Openeye Name: octadecyl 3-[3,5-bis(methylsulfanyl)hexanoylsulfanyl]propanoate CAS Name: 3-[[3,5-bis(methylthio)-1-oxohexyl]thio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[3,5-bis(methylsulfanyl)hexanoylsulfanyl]propanoate Traditional Name: 3-[3,5-bis(methylthio)hexanoylthio]propionic acid stearyl ester Formula: C29H56O3S3 MolecularWeight: 548.94814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(CC(C)SC)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(CC(C)SC)SC

InChI

InChI=1S/C29H56O3S3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-28(30)21-23-35-29(31)25-27(34-4)24-26(2)33-3/h26-27H,5-25H2,1-4H3