3-[1,5-bis(oxidanyl)heptyl]-4-methyl-2H-furan-5-one

Systemtic Name: 3-[1,5-bis(oxidanyl)heptyl]-4-methyl-2H-furan-5-one Openeye Name: 3-(1,5-dihydroxyheptyl)-4-methyl-2H-furan-5-one CAS Name: 3-(1,5-dihydroxyheptyl)-4-methyl-2H-furan-5-one IUPAC Name: 3-(1,5-dihydroxyheptyl)-4-methyl-2H-furan-5-one Traditional Name: 3-(1,5-dihydroxyheptyl)-4-methyl-2H-furan-5-one Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(C1=C(C(=O)OC1)C)O)O

Isomeric SMILES

CCC(CCCC(C1=C(C(=O)OC1)C)O)O

InChI

InChI=1S/C12H20O4/c1-3-9(13)5-4-6-11(14)10-7-16-12(15)8(10)2/h9,11,13-14H,3-7H2,1-2H3