octadecyl 3-(4-octadecoxy-4-oxidanylidene-butan-2-yl)sulfanylbutanoate

Systemtic Name: octadecyl 3-(4-octadecoxy-4-oxidanylidene-butan-2-yl)sulfanylbutanoate Openeye Name: octadecyl 3-(1-methyl-3-octadecoxy-3-oxo-propyl)sulfanylbutanoate CAS Name: 3-[(4-octadecoxy-4-oxobutan-2-yl)thio]butanoic acid octadecyl ester IUPAC Name: octadecyl 3-(4-octadecoxy-4-oxobutan-2-yl)sulfanylbutanoate Traditional Name: 3-[(3-keto-1-methyl-3-stearyloxy-propyl)thio]butyric acid stearyl ester Formula: C44H86O4S MolecularWeight: 711.21624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H86O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47-43(45)39-41(3)49-42(4)40-44(46)48-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3