hexyl dodecanoate; 2-octyldodecyl 2-(6-methylheptyl)octadecanoate

Systemtic Name: hexyl dodecanoate; 2-octyldodecyl 2-(6-methylheptyl)octadecanoate Openeye Name: hexyl dodecanoate; 2-octyldodecyl 2-(6-methylheptyl)octadecanoate CAS Name: dodecanoic acid hexyl ester; 2-(6-methylheptyl)octadecanoic acid 2-octyldodecyl ester IUPAC Name: hexyl dodecanoate; 2-octyldodecyl 2-(6-methylheptyl)octadecanoate Traditional Name: lauric acid hexyl ester; 2-(6-methylheptyl)stearic acid 2-octyldodecyl ester Formula: C64H128O4 MolecularWeight: 961.69872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCC(C)C)C(=O)OCC(CCCCCCCC)CCCCCCCCCC.CCCCCCCCCCCC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCC(C)C)C(=O)OCC(CCCCCCCC)CCCCCCCCCC.CCCCCCCCCCCC(=O)OCCCCCC

InChI

InChI=1S/C46H92O2.C18H36O2/c1-6-9-12-15-18-20-21-22-23-24-25-27-30-35-40-45(41-36-31-32-37-43(4)5)46(47)48-42-44(38-33-28-17-14-11-8-3)39-34-29-26-19-16-13-10-7-2;1-3-5-7-9-10-11-12-13-14-16-18(19)20-17-15-8-6-4-2/h43-45H,6-42H2,1-5H3;3-17H2,1-2H3