3-[1,6-bis(oxidanyl)heptyl]-4-methyl-2H-furan-5-one

Systemtic Name: 3-[1,6-bis(oxidanyl)heptyl]-4-methyl-2H-furan-5-one Openeye Name: 3-(1,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one CAS Name: 3-(1,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one IUPAC Name: 3-(1,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one Traditional Name: 3-(1,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(COC1=O)C(CCCCC(C)O)O

Isomeric SMILES

CC1=C(COC1=O)C(CCCCC(C)O)O

InChI

InChI=1S/C12H20O4/c1-8(13)5-3-4-6-11(14)10-7-16-12(15)9(10)2/h8,11,13-14H,3-7H2,1-2H3