8-[5-(3-methyl-3-oxidanyl-octyl)furan-2-yl]octanoic acid

Systemtic Name: 8-[5-(3-methyl-3-oxidanyl-octyl)furan-2-yl]octanoic acid Openeye Name: 8-[5-(3-hydroxy-3-methyl-octyl)-2-furyl]octanoic acid CAS Name: 8-[5-(3-hydroxy-3-methyloctyl)-2-furanyl]octanoic acid IUPAC Name: 8-[5-(3-hydroxy-3-methyloctyl)furan-2-yl]octanoic acid Traditional Name: 8-[5-(3-hydroxy-3-methyl-octyl)-2-furyl]caprylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCC1=CC=C(O1)CCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(C)(CCC1=CC=C(O1)CCCCCCCC(=O)O)O

InChI

InChI=1S/C21H36O4/c1-3-4-10-16-21(2,24)17-15-19-14-13-18(25-19)11-8-6-5-7-9-12-20(22)23/h13-14,24H,3-12,15-17H2,1-2H3,(H,22,23)