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(4-docosanoyloxy-3-methyl-butyl) docosanoate

Systemtic Name:	(4-docosanoyloxy-3-methyl-butyl) docosanoate
Openeye Name:	(4-docosanoyloxy-3-methyl-butyl) docosanoate
CAS Name:	docosanoic acid [3-methyl-4-(1-oxodocosoxy)butyl] ester
IUPAC Name:	(4-docosanoyloxy-3-methylbutyl) docosanoate
Traditional Name:	behenic acid (4-docosanoyloxy-3-methyl-butyl) ester
Formula:	C₄₉H₉₆O₄
MolecularWeight:	749.28414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H96O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-48(50)52-45-44-47(3)46-53-49(51)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h47H,4-46H2,1-3H3

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