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

Systemtic Name: butan-2-yl pentanoate; 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 pentanoate CAS Name: 5-ethyl-3-oxabicyclo[2.2.2]octa-1(6),4,7-trien-2-one; pentanoic acid butan-2-yl ester IUPAC Name: butan-2-yl pentanoate; 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; valeric acid sec-butyl ester Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O2.C9H18O2/c1-2-6-5-7-3-4-8(6)11-9(7)10;1-4-6-7-9(10)11-8(3)5-2/h3-5H,2H2,1H3;8H,4-7H2,1-3H3