6-butyl-4-oxidanyl-6-pentanoyl-3H-pyran-2-one; methyl 3-oxidanylideneheptanoate

Systemtic Name: 6-butyl-4-oxidanyl-6-pentanoyl-3H-pyran-2-one; methyl 3-oxidanylideneheptanoate Openeye Name: 6-butyl-4-hydroxy-6-pentanoyl-3H-pyran-2-one; methyl 3-oxoheptanoate CAS Name: 6-butyl-4-hydroxy-6-(1-oxopentyl)-3H-pyran-2-one; 3-oxoheptanoic acid methyl ester IUPAC Name: 6-butyl-4-hydroxy-6-pentanoyl-3H-pyran-2-one; methyl 3-oxoheptanoate Traditional Name: 6-butyl-4-hydroxy-6-valeryl-3H-pyran-2-one; 3-ketoenanthic acid methyl ester Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(=O)OC.CCCCC(=O)C1(C=C(CC(=O)O1)O)CCCC

Isomeric SMILES

CCCCC(=O)CC(=O)OC.CCCCC(=O)C1(C=C(CC(=O)O1)O)CCCC

InChI

InChI=1S/C14H22O4.C8H14O3/c1-3-5-7-12(16)14(8-6-4-2)10-11(15)9-13(17)18-14;1-3-4-5-7(9)6-8(10)11-2/h10,15H,3-9H2,1-2H3;3-6H2,1-2H3