7-oxabicyclo[4.1.0]heptan-4-ylmethyl 8-(3-octyloxiran-2-yl)octanoate

Systemtic Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 8-(3-octyloxiran-2-yl)octanoate Openeye Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 8-(3-octyloxiran-2-yl)octanoate CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid 7-oxabicyclo[4.1.0]heptan-4-ylmethyl ester IUPAC Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 8-(3-octyloxiran-2-yl)octanoate Traditional Name: 8-(3-octyloxiran-2-yl)caprylic acid 7-oxabicyclo[4.1.0]heptan-4-ylmethyl ester Formula: C25H44O4 MolecularWeight: 408.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2CCC3C(C2)O3

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2CCC3C(C2)O3

InChI

InChI=1S/C25H44O4/c1-2-3-4-5-7-10-13-21-22(28-21)14-11-8-6-9-12-15-25(26)27-19-20-16-17-23-24(18-20)29-23/h20-24H,2-19H2,1H3