[1-(2-octyldodecoxy)-1-oxidanylidene-dodecan-6-yl] octadecanoate

Systemtic Name: [1-(2-octyldodecoxy)-1-oxidanylidene-dodecan-6-yl] octadecanoate Openeye Name: 1-[5-(2-octyldodecoxy)-5-oxo-pentyl]heptyl octadecanoate CAS Name: octadecanoic acid [1-(2-octyldodecoxy)-1-oxododecan-6-yl] ester IUPAC Name: [1-(2-octyldodecoxy)-1-oxododecan-6-yl] octadecanoate Traditional Name: stearic acid 1-[5-keto-5-(2-octyldodecoxy)pentyl]heptyl ester Formula: C50H98O4 MolecularWeight: 763.31072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C50H98O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-30-33-37-45-50(52)54-48(42-36-16-12-8-4)43-38-39-44-49(51)53-46-47(40-34-31-19-15-11-7-3)41-35-32-29-21-18-14-10-6-2/h47-48H,5-46H2,1-4H3