[2-(octadecanoyloxymethyl)-2-(2-oxidanylpropanoyloxymethyl)butyl] octadecanoate

Systemtic Name: [2-(octadecanoyloxymethyl)-2-(2-oxidanylpropanoyloxymethyl)butyl] octadecanoate Openeye Name: [2-(2-hydroxypropanoyloxymethyl)-2-(octadecanoyloxymethyl)butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-hydroxy-1-oxopropoxy)methyl]-2-(1-oxooctadecoxymethyl)butyl] ester IUPAC Name: [2-(2-hydroxypropanoyloxymethyl)-2-(octadecanoyloxymethyl)butyl] octadecanoate Traditional Name: stearic acid [2-(lactoyloxymethyl)-2-(stearoyloxymethyl)butyl] ester Formula: C45H86O7 MolecularWeight: 739.16014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C(C)O

InChI

InChI=1S/C45H86O7/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(47)50-38-45(7-3,40-52-44(49)41(4)46)39-51-43(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h41,46H,5-40H2,1-4H3