3-heptan-4-ylpyran-2-one

Systemtic Name: 3-heptan-4-ylpyran-2-one Openeye Name: 3-(1-propylbutyl)pyran-2-one CAS Name: 3-heptan-4-yl-2-pyranone IUPAC Name: 3-heptan-4-ylpyran-2-one Traditional Name: 3-(1-propylbutyl)pyran-2-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=COC1=O

Isomeric SMILES

CCCC(CCC)C1=CC=COC1=O

InChI

InChI=1S/C12H18O2/c1-3-6-10(7-4-2)11-8-5-9-14-12(11)13/h5,8-10H,3-4,6-7H2,1-2H3