butan-2-yl hexanoate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one

Systemtic Name: butan-2-yl hexanoate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Openeye Name: 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; sec-butyl hexanoate CAS Name: 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; hexanoic acid butan-2-yl ester IUPAC Name: butan-2-yl hexanoate; 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Traditional Name: 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; hexanoic acid sec-butyl ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)CC.CCC1=C2C=CC(=C1)C(=O)O2

Isomeric SMILES

CCCCCC(=O)OC(C)CC.CCC1=C2C=CC(=C1)C(=O)O2

InChI

InChI=1S/C10H20O2.C9H8O2/c1-4-6-7-8-10(11)12-9(3)5-2;1-2-6-5-7-3-4-8(6)11-9(7)10/h9H,4-8H2,1-3H3;3-5H,2H2,1H3