(2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) docosanoate

Systemtic Name: (2-ethyl-5-methyl-4-oxidanylidene-furan-3-yl) docosanoate Openeye Name: (2-ethyl-5-methyl-4-oxo-3-furyl) docosanoate CAS Name: docosanoic acid (2-ethyl-5-methyl-4-oxo-3-furanyl) ester IUPAC Name: (2-ethyl-5-methyl-4-oxofuran-3-yl) docosanoate Traditional Name: behenic acid (2-ethyl-4-keto-5-methyl-3-furyl) ester Formula: C29H52O4 MolecularWeight: 464.72078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(OC(C1=O)C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(OC(C1=O)C)CC

InChI

InChI=1S/C29H52O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30)33-29-26(5-2)32-25(3)28(29)31/h25H,4-24H2,1-3H3