8-[5-(hydroxymethyl)furan-2-yl]octanoic acid

Systemtic Name: 8-[5-(hydroxymethyl)furan-2-yl]octanoic acid Openeye Name: 8-[5-(hydroxymethyl)-2-furyl]octanoic acid CAS Name: 8-[5-(hydroxymethyl)-2-furanyl]octanoic acid IUPAC Name: 8-[5-(hydroxymethyl)furan-2-yl]octanoic acid Traditional Name: 8-(5-methylol-2-furyl)caprylic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)CO)CCCCCCCC(=O)O

Isomeric SMILES

C1=C(OC(=C1)CO)CCCCCCCC(=O)O

InChI

InChI=1S/C13H20O4/c14-10-12-9-8-11(17-12)6-4-2-1-3-5-7-13(15)16/h8-9,14H,1-7,10H2,(H,15,16)