ethyl 2-butyl-5-[3-(8-ethoxy-8-oxidanylidene-octyl)oxiran-2-yl]-7-oxabicyclo[4.1.0]heptane-4-carboxylate

Systemtic Name: ethyl 2-butyl-5-[3-(8-ethoxy-8-oxidanylidene-octyl)oxiran-2-yl]-7-oxabicyclo[4.1.0]heptane-4-carboxylate Openeye Name: ethyl 2-butyl-5-[3-(8-ethoxy-8-oxo-octyl)oxiran-2-yl]-7-oxabicyclo[4.1.0]heptane-4-carboxylate CAS Name: 2-butyl-5-[3-(8-ethoxy-8-oxooctyl)-2-oxiranyl]-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-[3-(8-ethoxy-8-oxooctyl)oxiran-2-yl]-7-oxabicyclo[4.1.0]heptane-4-carboxylate Traditional Name: 2-butyl-5-[3-(8-ethoxy-8-keto-octyl)oxiran-2-yl]-7-oxabicyclo[4.1.0]heptane-4-carboxylic acid ethyl ester Formula: C25H42O6 MolecularWeight: 438.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C(C2C1O2)C3C(O3)CCCCCCCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1CC(C(C2C1O2)C3C(O3)CCCCCCCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C25H42O6/c1-4-7-13-17-16-18(25(27)29-6-3)21(24-22(17)31-24)23-19(30-23)14-11-9-8-10-12-15-20(26)28-5-2/h17-19,21-24H,4-16H2,1-3H3