6-heptyl-3-octanoyl-2-oxidanyl-pyran-4-one

Systemtic Name: 6-heptyl-3-octanoyl-2-oxidanyl-pyran-4-one Openeye Name: 6-heptyl-2-hydroxy-3-octanoyl-pyran-4-one CAS Name: 6-heptyl-2-hydroxy-3-(1-oxooctyl)-4-pyranone IUPAC Name: 6-heptyl-2-hydroxy-3-octanoylpyran-4-one Traditional Name: 3-caprylyl-6-heptyl-2-hydroxy-pyran-4-one Formula: C20H32O4 MolecularWeight: 336.46568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=O)C(=C(O1)O)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC(=O)C(=C(O1)O)C(=O)CCCCCCC

InChI

InChI=1S/C20H32O4/c1-3-5-7-9-11-13-16-15-18(22)19(20(23)24-16)17(21)14-12-10-8-6-4-2/h15,23H,3-14H2,1-2H3