6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; heptanoic acid

Systemtic Name: 6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; heptanoic acid Openeye Name: 6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; heptanoic acid CAS Name: 6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; heptanoic acid IUPAC Name: 6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; heptanoic acid Traditional Name: enanthic acid; 6-ethoxy-2-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCOC1=C2C=CC(=C1)OCC2=O

Isomeric SMILES

CCCCCCC(=O)O.CCOC1=C2C=CC(=C1)OCC2=O

InChI

InChI=1S/C10H10O3.C7H14O2/c1-2-12-10-5-7-3-4-8(10)9(11)6-13-7;1-2-3-4-5-6-7(8)9/h3-5H,2,6H2,1H3;2-6H2,1H3,(H,8,9)