5-methyl-4-octyl-5-oxidanyl-furan-2-one

Systemtic Name: 5-methyl-4-octyl-5-oxidanyl-furan-2-one Openeye Name: 5-hydroxy-5-methyl-4-octyl-furan-2-one CAS Name: 5-hydroxy-5-methyl-4-octyl-2-furanone IUPAC Name: 5-hydroxy-5-methyl-4-octylfuran-2-one Traditional Name: 5-hydroxy-5-methyl-4-octyl-furan-2-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=O)OC1(C)O

Isomeric SMILES

CCCCCCCCC1=CC(=O)OC1(C)O

InChI

InChI=1S/C13H22O3/c1-3-4-5-6-7-8-9-11-10-12(14)16-13(11,2)15/h10,15H,3-9H2,1-2H3