butan-2-yl decanoate; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile

Systemtic Name: butan-2-yl decanoate; 2-oxidanylidene-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Openeye Name: 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile; sec-butyl decanoate CAS Name: decanoic acid butan-2-yl ester; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile IUPAC Name: butan-2-yl decanoate; 2-oxo-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Traditional Name: capric acid sec-butyl ester; 2-keto-3-oxabicyclo[2.2.2]octa-1(6),4,7-triene-5-carbonitrile Formula: C22H31NO4 MolecularWeight: 373.48584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C)CC.C1=CC2=C(C=C1C(=O)O2)C#N

Isomeric SMILES

CCCCCCCCCC(=O)OC(C)CC.C1=CC2=C(C=C1C(=O)O2)C#N

InChI

InChI=1S/C14H28O2.C8H3NO2/c1-4-6-7-8-9-10-11-12-14(15)16-13(3)5-2;9-4-6-3-5-1-2-7(6)11-8(5)10/h13H,4-12H2,1-3H3;1-3H