2,2-bis(2-methylhenicosanoyloxymethyl)butyl 2-methylhenicosanoate

Systemtic Name: 2,2-bis(2-methylhenicosanoyloxymethyl)butyl 2-methylhenicosanoate Openeye Name: 2,2-bis(2-methylhenicosanoyloxymethyl)butyl 2-methylhenicosanoate CAS Name: 2-methylheneicosanoic acid 2,2-bis[(2-methyl-1-oxoheneicosoxy)methyl]butyl ester IUPAC Name: 2,2-bis(2-methylhenicosanoyloxymethyl)butyl 2-methylhenicosanoate Traditional Name: 2-methylheneicosanoic acid 2,2-bis(2-methylheneicosanoyloxymethyl)butyl ester Formula: C72H140O6 MolecularWeight: 1101.8784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H140O6/c1-8-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-66(5)69(73)76-63-72(11-4,64-77-70(74)67(6)61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-9-2)65-78-71(75)68(7)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-3/h66-68H,8-65H2,1-7H3