ethyl hexanoate; 2-methyl-3-oxidanyl-pyran-4-one

Systemtic Name: ethyl hexanoate; 2-methyl-3-oxidanyl-pyran-4-one Openeye Name: ethyl hexanoate; 3-hydroxy-2-methyl-pyran-4-one CAS Name: hexanoic acid ethyl ester; 3-hydroxy-2-methyl-4-pyranone IUPAC Name: ethyl hexanoate; 3-hydroxy-2-methylpyran-4-one Traditional Name: hexanoic acid ethyl ester; 3-hydroxy-2-methyl-pyran-4-one Formula: C14H22O5 MolecularWeight: 270.32148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC.CC1=C(C(=O)C=CO1)O

Isomeric SMILES

CCCCCC(=O)OCC.CC1=C(C(=O)C=CO1)O

InChI

InChI=1S/C8H16O2.C6H6O3/c1-3-5-6-7-8(9)10-4-2;1-4-6(8)5(7)2-3-9-4/h3-7H2,1-2H3;2-3,8H,1H3