(2-octadecanoyloxy-3-oxidanylidene-butan-2-yl) octadecanoate

Systemtic Name: (2-octadecanoyloxy-3-oxidanylidene-butan-2-yl) octadecanoate Openeye Name: (1-methyl-1-octadecanoyloxy-2-oxo-propyl) octadecanoate CAS Name: octadecanoic acid [3-oxo-2-(1-oxooctadecoxy)butan-2-yl] ester IUPAC Name: (2-octadecanoyloxy-3-oxobutan-2-yl) octadecanoate Traditional Name: stearic acid (2-keto-1-methyl-1-stearoyloxy-propyl) ester Formula: C40H76O5 MolecularWeight: 637.02844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)(C(=O)C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)(C(=O)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H76O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(42)44-40(4,37(3)41)45-39(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-36H2,1-4H3