dodecyl 4-dodecylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: dodecyl 4-dodecylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: dodecyl 4-dodecylsulfanyl-2-hydroxy-4-oxo-butanoate CAS Name: 4-(dodecylthio)-2-hydroxy-4-oxobutanoic acid dodecyl ester IUPAC Name: dodecyl 4-dodecylsulfanyl-2-hydroxy-4-oxobutanoate Traditional Name: 2-hydroxy-4-keto-4-(laurylthio)butyric acid lauryl ester Formula: C28H54O4S MolecularWeight: 486.79096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC(=O)SCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC(=O)SCCCCCCCCCCCC)O

InChI

InChI=1S/C28H54O4S/c1-3-5-7-9-11-13-15-17-19-21-23-32-28(31)26(29)25-27(30)33-24-22-20-18-16-14-12-10-8-6-4-2/h26,29H,3-25H2,1-2H3