methyl 3-[1,2-bis(oxidanyl)heptadecan-3-ylsulfanyl]propanoate

Systemtic Name: methyl 3-[1,2-bis(oxidanyl)heptadecan-3-ylsulfanyl]propanoate Openeye Name: methyl 3-[1-(1,2-dihydroxyethyl)pentadecylsulfanyl]propanoate CAS Name: 3-(1,2-dihydroxyheptadecan-3-ylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(1,2-dihydroxyheptadecan-3-ylsulfanyl)propanoate Traditional Name: 3-[1-(1,2-dihydroxyethyl)pentadecylthio]propionic acid methyl ester Formula: C21H42O4S MolecularWeight: 390.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CO)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CO)O)SCCC(=O)OC

InChI

InChI=1S/C21H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(23)18-22)26-17-16-21(24)25-2/h19-20,22-23H,3-18H2,1-2H3